<?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">2024-02-20T13:16:41.000</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="8.4382444"
                        xFract="0.99979199"
                        y3="4.22317125"
                        yFract="0.50037574"
                        z3="9.66075249"
                        zFract="0.43477734"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.20293955"
                        xFract="0.49797862"
                        y3="2.09577674"
                        yFract="0.24831478"
                        z3="8.48835863"
                        zFract="0.38201434"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.19034513"
                        xFract="0.49648639"
                        y3="8.423654"
                        yFract="0.99806327"
                        z3="6.36868151"
                        zFract="0.28661933"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="4.22716277"
                        xFract="0.50084867"
                        y3="6.3401902"
                        yFract="0.75120737"
                        z3="4.2038078"
                        zFract="0.18919027"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="6.32619567"
                        xFract="0.74954925"
                        y3="4.21713732"
                        yFract="0.49966082"
                        z3="4.22375758"
                        zFract="0.1900881"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="0.0393499"
                        xFract="0.00466231"
                        y3="8.43779632"
                        yFract="0.9997389"
                        z3="6.40795403"
                        zFract="0.28838677"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.11544549"
                        xFract="0.2506452"
                        y3="2.10023669"
                        yFract="0.24884321"
                        z3="6.39981173"
                        zFract="0.28802033"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.04233268"
                        xFract="0.00501572"
                        y3="2.08989871"
                        yFract="0.24761833"
                        z3="8.53609097"
                        zFract="0.38416251"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.1510352"
                        xFract="0.25486199"
                        y3="6.3483965"
                        yFract="0.75217968"
                        z3="6.37826678"
                        zFract="0.28705071"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="6.32985981"
                        xFract="0.74998339"
                        y3="8.43841995"
                        yFract="0.99981279"
                        z3="4.24650775"
                        zFract="0.19111196"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.28899578"
                        xFract="0.74514168"
                        y3="4.22275203"
                        yFract="0.50032607"
                        z3="8.54605975"
                        zFract="0.38461115"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.09381664"
                        xFract="0.24808254"
                        y3="0.01878812"
                        yFract="0.00222608"
                        z3="4.20921681"
                        zFract="0.1894337"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.18702391"
                        xFract="0.49609288"
                        y3="6.33271861"
                        yFract="0.75032211"
                        z3="8.68764448"
                        zFract="0.3909831"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.13019287"
                        xFract="0.25239252"
                        y3="8.43414483"
                        yFract="0.99930626"
                        z3="8.62596709"
                        zFract="0.38820734"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="8.43670123"
                        xFract="0.99960915"
                        y3="2.08856485"
                        yFract="0.24746029"
                        z3="4.26401089"
                        zFract="0.19189968"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.13562722"
                        xFract="0.2530364"
                        y3="4.21551152"
                        yFract="0.49946819"
                        z3="8.68516584"
                        zFract="0.39087155"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.05668431"
                        xFract="0.00671615"
                        y3="6.31126599"
                        yFract="0.74778033"
                        z3="8.56019456"
                        zFract="0.38524728"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.18484968"
                        xFract="0.49583527"
                        y3="4.26403486"
                        yFract="0.5052174"
                        z3="6.43237781"
                        zFract="0.28948595"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.21736748"
                        xFract="0.49968809"
                        y3="2.10195297"
                        yFract="0.24904656"
                        z3="4.23710869"
                        zFract="0.19068896"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="6.3016335"
                        xFract="0.74663904"
                        y3="8.42411153"
                        yFract="0.99811748"
                        z3="8.51235157"
                        zFract="0.38309413"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.34392178"
                        xFract="0.7516495"
                        y3="2.10657885"
                        yFract="0.24959465"
                        z3="6.41571103"
                        zFract="0.28873587"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.28849149"
                        xFract="0.74508193"
                        y3="6.33477096"
                        yFract="0.75056528"
                        z3="6.43919246"
                        zFract="0.28979264"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="0.03071324"
                        xFract="0.00363901"
                        y3="4.21212261"
                        yFract="0.49906666"
                        z3="6.42341582"
                        zFract="0.28908262"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="2.10139145"
                        xFract="0.24898003"
                        y3="4.21200048"
                        yFract="0.49905219"
                        z3="4.24727967"
                        zFract="0.1911467"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="8.42228765"
                        xFract="0.99790138"
                        y3="6.3366795"
                        yFract="0.75079141"
                        z3="4.27845278"
                        zFract="0.19254963"/>
                  <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="0.02854644"
                        xFract="0.00338228"
                        y3="2.08622587"
                        yFract="0.24718316"
                        z3="6.49439694"
                        zFract="0.29227709"/>
                  <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="2.10361362"
                        xFract="0.24924332"
                        y3="8.43750421"
                        yFract="0.99970429"
                        z3="6.20509343"
                        zFract="0.27925713"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.34539224"
                        xFract="0.98879055"
                        y3="8.41270192"
                        yFract="0.99676563"
                        z3="4.3185421"
                        zFract="0.19435383"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.08596731"
                        xFract="0.0101857"
                        y3="8.40443181"
                        yFract="0.99578576"
                        z3="8.56413306"
                        zFract="0.38542453"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.10960518"
                        xFract="0.24995322"
                        y3="2.12306529"
                        yFract="0.25154802"
                        z3="4.29088642"
                        zFract="0.1931092"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.15593242"
                        xFract="0.25544223"
                        y3="2.08841436"
                        yFract="0.24744246"
                        z3="8.52905212"
                        zFract="0.38384573"/>
                  <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="4.20859849"
                        xFract="0.49864911"
                        y3="2.08737751"
                        yFract="0.24731961"
                        z3="6.38702723"
                        zFract="0.28744497"/>
                  <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="6.33765103"
                        xFract="0.75090652"
                        y3="8.4345486"
                        yFract="0.9993541"
                        z3="6.37855697"
                        zFract="0.28706377"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.30549602"
                        xFract="0.51012986"
                        y3="8.38085687"
                        yFract="0.99299252"
                        z3="4.21967066"
                        zFract="0.18990417"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.13215462"
                        xFract="0.48959178"
                        y3="0.08540985"
                        yFract="0.01011965"
                        z3="8.43406518"
                        zFract="0.37957089"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.33600413"
                        xFract="0.75071139"
                        y3="2.11998882"
                        yFract="0.25118351"
                        z3="4.22736811"
                        zFract="0.19025059"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.29403353"
                        xFract="0.74573857"
                        y3="2.07684582"
                        yFract="0.24607178"
                        z3="8.61962506"
                        zFract="0.38792192"/>
                  <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="0.02538516"
                        xFract="0.00300772"
                        y3="6.348944"
                        yFract="0.75224455"
                        z3="6.41435539"
                        zFract="0.28867486"/>
                  <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="2.10629999"
                        xFract="0.24956161"
                        y3="4.22975124"
                        yFract="0.50115536"
                        z3="6.30029613"
                        zFract="0.28354168"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="8.39283382"
                        xFract="0.99441159"
                        y3="4.24580901"
                        yFract="0.50305794"
                        z3="4.22186955"
                        zFract="0.19000313"/>
                  <atom elementType="O"
                        id="a68"
                        x3="8.4382444"
                        xFract="0.99979199"
                        y3="4.22317125"
                        yFract="0.50037574"
                        z3="8.66085249"
                        zFract="0.38977734"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.16887373"
                        xFract="0.25697556"
                        y3="6.32414618"
                        yFract="0.74930642"
                        z3="4.19985353"
                        zFract="0.18901231"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.19955127"
                        xFract="0.26061034"
                        y3="6.34485221"
                        yFract="0.75175974"
                        z3="8.52655348"
                        zFract="0.38373328"/>
                  <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="4.20966725"
                        xFract="0.49877574"
                        y3="6.37184003"
                        yFract="0.75495735"
                        z3="6.22442572"
                        zFract="0.28012717"/>
                  <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="6.33733512"
                        xFract="0.75086909"
                        y3="4.22477274"
                        yFract="0.50056549"
                        z3="6.45358724"
                        zFract="0.29044047"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.25820552"
                        xFract="0.50452672"
                        y3="4.28543481"
                        yFract="0.50775294"
                        z3="4.21108618"
                        zFract="0.18951783"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.19722348"
                        xFract="0.49730136"
                        y3="4.11599945"
                        yFract="0.48767766"
                        z3="8.57777614"
                        zFract="0.38603853"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.26024222"
                        xFract="0.74173486"
                        y3="6.31945776"
                        yFract="0.74875092"
                        z3="4.19654119"
                        zFract="0.18886324"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.21743656"
                        xFract="0.7366631"
                        y3="6.34872937"
                        yFract="0.75221912"
                        z3="8.63428649"
                        zFract="0.38858175"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a68" order="S"/>
                  <bond atomRefs2="a2 a66" order="S"/>
                  <bond atomRefs2="a2 a62" order="S"/>
                  <bond atomRefs2="a2 a69" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a3 a69" order="S"/>
                  <bond atomRefs2="a3 a64" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a76" order="S"/>
                  <bond atomRefs2="a4 a79" order="S"/>
                  <bond atomRefs2="a4 a80" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a5 a52" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a78" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a7 a45" order="S"/>
                  <bond atomRefs2="a7 a73" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a8 a72" order="S"/>
                  <bond atomRefs2="a8 a79" order="S"/>
                  <bond atomRefs2="a8 a76" order="S"/>
                  <bond atomRefs2="a8 a69" order="S"/>
                  <bond atomRefs2="a9 a57" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a9 a77" order="S"/>
                  <bond atomRefs2="a9 a80" order="S"/>
                  <bond atomRefs2="a9 a73" order="S"/>
                  <bond atomRefs2="a9 a70" order="S"/>
                  <bond atomRefs2="a10 a60" order="S"/>
                  <bond atomRefs2="a10 a74" order="S"/>
                  <bond atomRefs2="a10 a67" order="S"/>
                  <bond atomRefs2="a10 a80" order="S"/>
                  <bond atomRefs2="a10 a77" order="S"/>
                  <bond atomRefs2="a11 a48" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a65" order="S"/>
                  <bond atomRefs2="a12 a53" order="S"/>
                  <bond atomRefs2="a13 a43" order="S"/>
                  <bond atomRefs2="a13 a51" order="S"/>
                  <bond atomRefs2="a14 a56" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a15 a63" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a17 a47" order="S"/>
                  <bond atomRefs2="a17 a55" order="S"/>
                  <bond atomRefs2="a17 a57" order="S"/>
                  <bond atomRefs2="a17 a80" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a18 a62" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a42" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a75" order="S"/>
                  <bond atomRefs2="a19 a81" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a19 a78" order="S"/>
                  <bond atomRefs2="a20 a74" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a21 a70" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a21 a72" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a66" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a25 a44" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a25 a52" order="S"/>
                  <bond atomRefs2="a26 a59" order="S"/>
                  <bond atomRefs2="a26 a76" order="S"/>
                  <bond atomRefs2="a26 a74" order="S"/>
                  <bond atomRefs2="a26 a79" order="S"/>
                  <bond atomRefs2="a27 a71" order="S"/>
                  <bond atomRefs2="a27 a81" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a28 a76" order="S"/>
                  <bond atomRefs2="a28 a56" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a29 a71" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a30 a60" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a31 a78" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a31 a71" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a32 a63" order="S"/>
                  <bond atomRefs2="a32 a71" order="S"/>
                  <bond atomRefs2="a33 a65" order="S"/>
                  <bond atomRefs2="a33 a78" order="S"/>
                  <bond atomRefs2="a33 a75" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a77" order="S"/>
                  <bond atomRefs2="a33 a53" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a50" order="S"/>
                  <bond atomRefs2="a35 a81" order="S"/>
                  <bond atomRefs2="a35 a55" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a37 a61" order="S"/>
                  <bond atomRefs2="a37 a53" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a81" order="S"/>
                  <bond atomRefs2="a38 a55" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a39 a65" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
                  <bond atomRefs2="a40 a65" order="S"/>
                  <bond atomRefs2="a40 a70" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a40 a77" order="S"/>
                  <bond atomRefs2="a41 a47" order="S"/>
                  <bond atomRefs2="a41 a67" order="S"/>
                  <bond atomRefs2="a41 a80" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 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="8.43824436"
                        xFract="0.99979199"
                        y3="4.22317122"
                        yFract="0.50037574"
                        z3="9.66075241"
                        zFract="0.43477734"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.20293954"
                        xFract="0.49797862"
                        y3="2.09577675"
                        yFract="0.24831478"
                        z3="8.48835857"
                        zFract="0.38201434"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.19034515"
                        xFract="0.49648639"
                        y3="8.42365402"
                        yFract="0.99806327"
                        z3="6.3686816"
                        zFract="0.28661933"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="4.22716278"
                        xFract="0.50084867"
                        y3="6.34019021"
                        yFract="0.75120737"
                        z3="4.20380787"
                        zFract="0.18919027"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="6.32619569"
                        xFract="0.74954925"
                        y3="4.21713734"
                        yFract="0.49966082"
                        z3="4.22375765"
                        zFract="0.1900881"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="0.03934991"
                        xFract="0.00466231"
                        y3="8.43779635"
                        yFract="0.9997389"
                        z3="6.40795396"
                        zFract="0.28838677"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.11544545"
                        xFract="0.2506452"
                        y3="2.10023669"
                        yFract="0.24884321"
                        z3="6.39981169"
                        zFract="0.28802033"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.04233266"
                        xFract="0.00501572"
                        y3="2.08989868"
                        yFract="0.24761833"
                        z3="8.53609102"
                        zFract="0.38416251"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.15103521"
                        xFract="0.25486199"
                        y3="6.34839653"
                        yFract="0.75217968"
                        z3="6.37826682"
                        zFract="0.28705071"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="6.3298598"
                        xFract="0.74998339"
                        y3="8.43841995"
                        yFract="0.99981279"
                        z3="4.24650777"
                        zFract="0.19111196"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.28899579"
                        xFract="0.74514168"
                        y3="4.22275204"
                        yFract="0.50032607"
                        z3="8.54605966"
                        zFract="0.38461115"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.09381667"
                        xFract="0.24808254"
                        y3="0.01878809"
                        yFract="0.00222608"
                        z3="4.20921681"
                        zFract="0.1894337"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.18702387"
                        xFract="0.49609288"
                        y3="6.33271863"
                        yFract="0.75032211"
                        z3="8.6876445"
                        zFract="0.3909831"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.1301929"
                        xFract="0.25239252"
                        y3="8.43414483"
                        yFract="0.99930626"
                        z3="8.62596703"
                        zFract="0.38820734"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="8.43670123"
                        xFract="0.99960915"
                        y3="2.08856488"
                        yFract="0.24746029"
                        z3="4.26401089"
                        zFract="0.19189968"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.13562724"
                        xFract="0.2530364"
                        y3="4.21551157"
                        yFract="0.4994682"
                        z3="8.68516589"
                        zFract="0.39087155"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.05668428"
                        xFract="0.00671615"
                        y3="6.31126597"
                        yFract="0.74778033"
                        z3="8.56019445"
                        zFract="0.38524728"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.1848497"
                        xFract="0.49583527"
                        y3="4.26403489"
                        yFract="0.5052174"
                        z3="6.43237772"
                        zFract="0.28948595"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.21736749"
                        xFract="0.49968809"
                        y3="2.10195297"
                        yFract="0.24904656"
                        z3="4.23710869"
                        zFract="0.19068896"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="6.30163352"
                        xFract="0.74663904"
                        y3="8.42411154"
                        yFract="0.99811748"
                        z3="8.51235166"
                        zFract="0.38309413"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.3439218"
                        xFract="0.7516495"
                        y3="2.10657882"
                        yFract="0.24959465"
                        z3="6.41571103"
                        zFract="0.28873587"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.28849152"
                        xFract="0.74508193"
                        y3="6.33477094"
                        yFract="0.75056528"
                        z3="6.43919248"
                        zFract="0.28979264"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="0.03071323"
                        xFract="0.00363901"
                        y3="4.2121226"
                        yFract="0.49906666"
                        z3="6.42341579"
                        zFract="0.28908262"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="2.10139148"
                        xFract="0.24898003"
                        y3="4.21200052"
                        yFract="0.49905219"
                        z3="4.24727967"
                        zFract="0.1911467"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="8.42228763"
                        xFract="0.99790138"
                        y3="6.33667947"
                        yFract="0.75079141"
                        z3="4.27845273"
                        zFract="0.19254963"/>
                  <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="0.02854641"
                        xFract="0.00338228"
                        y3="2.0862259"
                        yFract="0.24718316"
                        z3="6.4943969"
                        zFract="0.29227709"/>
                  <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="2.1036136"
                        xFract="0.24924332"
                        y3="8.43750421"
                        yFract="0.99970429"
                        z3="6.20509334"
                        zFract="0.27925713"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.34539223"
                        xFract="0.98879055"
                        y3="8.41270189"
                        yFract="0.99676563"
                        z3="4.31854201"
                        zFract="0.19435383"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.08596732"
                        xFract="0.0101857"
                        y3="8.4044318"
                        yFract="0.99578576"
                        z3="8.56413299"
                        zFract="0.38542453"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.10960515"
                        xFract="0.24995322"
                        y3="2.12306532"
                        yFract="0.25154802"
                        z3="4.29088636"
                        zFract="0.1931092"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.15593246"
                        xFract="0.25544224"
                        y3="2.08841433"
                        yFract="0.24744246"
                        z3="8.52905217"
                        zFract="0.38384573"/>
                  <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="4.2085985"
                        xFract="0.49864911"
                        y3="2.08737749"
                        yFract="0.24731961"
                        z3="6.38702712"
                        zFract="0.28744496"/>
                  <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="6.33765105"
                        xFract="0.75090652"
                        y3="8.4345486"
                        yFract="0.9993541"
                        z3="6.37855706"
                        zFract="0.28706377"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.30549602"
                        xFract="0.51012986"
                        y3="8.38085689"
                        yFract="0.99299252"
                        z3="4.21967075"
                        zFract="0.18990417"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.13215461"
                        xFract="0.48959178"
                        y3="0.08540986"
                        yFract="0.01011965"
                        z3="8.43406509"
                        zFract="0.37957089"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3360041"
                        xFract="0.75071139"
                        y3="2.1199888"
                        yFract="0.25118351"
                        z3="4.22736807"
                        zFract="0.19025059"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.29403353"
                        xFract="0.74573857"
                        y3="2.07684581"
                        yFract="0.24607178"
                        z3="8.619625"
                        zFract="0.38792192"/>
                  <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="0.02538517"
                        xFract="0.00300772"
                        y3="6.34894401"
                        yFract="0.75224455"
                        z3="6.41435528"
                        zFract="0.28867486"/>
                  <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="2.10629995"
                        xFract="0.24956161"
                        y3="4.22975126"
                        yFract="0.50115536"
                        z3="6.30029622"
                        zFract="0.28354168"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="8.3928338"
                        xFract="0.99441159"
                        y3="4.24580898"
                        yFract="0.50305794"
                        z3="4.22186946"
                        zFract="0.19000313"/>
                  <atom elementType="O"
                        id="a68"
                        x3="8.43824436"
                        xFract="0.99979199"
                        y3="4.22317122"
                        yFract="0.50037574"
                        z3="8.66085241"
                        zFract="0.38977734"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.16887375"
                        xFract="0.25697556"
                        y3="6.32414621"
                        yFract="0.74930642"
                        z3="4.19985359"
                        zFract="0.18901231"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.19955124"
                        xFract="0.26061034"
                        y3="6.34485223"
                        yFract="0.75175974"
                        z3="8.52655337"
                        zFract="0.38373327"/>
                  <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="4.20966728"
                        xFract="0.49877574"
                        y3="6.37184003"
                        yFract="0.75495735"
                        z3="6.22442565"
                        zFract="0.28012717"/>
                  <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="6.33733509"
                        xFract="0.75086909"
                        y3="4.22477277"
                        yFract="0.50056549"
                        z3="6.4535872"
                        zFract="0.29044047"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.25820552"
                        xFract="0.50452672"
                        y3="4.28543484"
                        yFract="0.50775294"
                        z3="4.21108618"
                        zFract="0.18951783"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.19722351"
                        xFract="0.49730136"
                        y3="4.11599947"
                        yFract="0.48767766"
                        z3="8.57777616"
                        zFract="0.38603853"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.26024224"
                        xFract="0.74173486"
                        y3="6.31945777"
                        yFract="0.74875092"
                        z3="4.19654119"
                        zFract="0.18886324"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.21743658"
                        xFract="0.7366631"
                        y3="6.34872933"
                        yFract="0.75221912"
                        z3="8.63428653"
                        zFract="0.38858175"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a68" order="S"/>
                  <bond atomRefs2="a2 a66" order="S"/>
                  <bond atomRefs2="a2 a62" order="S"/>
                  <bond atomRefs2="a2 a69" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a3 a69" order="S"/>
                  <bond atomRefs2="a3 a64" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a76" order="S"/>
                  <bond atomRefs2="a4 a79" order="S"/>
                  <bond atomRefs2="a4 a80" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a5 a52" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a78" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a7 a45" order="S"/>
                  <bond atomRefs2="a7 a73" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a7 a57" order="S"/>
                  <bond atomRefs2="a8 a72" order="S"/>
                  <bond atomRefs2="a8 a79" order="S"/>
                  <bond atomRefs2="a8 a76" order="S"/>
                  <bond atomRefs2="a8 a69" order="S"/>
                  <bond atomRefs2="a9 a57" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a9 a77" order="S"/>
                  <bond atomRefs2="a9 a80" order="S"/>
                  <bond atomRefs2="a9 a73" order="S"/>
                  <bond atomRefs2="a9 a70" order="S"/>
                  <bond atomRefs2="a10 a60" order="S"/>
                  <bond atomRefs2="a10 a74" order="S"/>
                  <bond atomRefs2="a10 a67" order="S"/>
                  <bond atomRefs2="a10 a80" order="S"/>
                  <bond atomRefs2="a10 a77" order="S"/>
                  <bond atomRefs2="a11 a48" order="S"/>
                  <bond atomRefs2="a11 a63" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a65" order="S"/>
                  <bond atomRefs2="a12 a53" order="S"/>
                  <bond atomRefs2="a13 a43" order="S"/>
                  <bond atomRefs2="a13 a51" order="S"/>
                  <bond atomRefs2="a14 a56" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a15 a63" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a17 a47" order="S"/>
                  <bond atomRefs2="a17 a55" order="S"/>
                  <bond atomRefs2="a17 a57" order="S"/>
                  <bond atomRefs2="a17 a80" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a18 a62" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a42" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a75" order="S"/>
                  <bond atomRefs2="a19 a81" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a19 a78" order="S"/>
                  <bond atomRefs2="a20 a74" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a21 a70" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a21 a72" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a66" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a25 a44" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a25 a52" order="S"/>
                  <bond atomRefs2="a26 a59" order="S"/>
                  <bond atomRefs2="a26 a76" order="S"/>
                  <bond atomRefs2="a26 a74" order="S"/>
                  <bond atomRefs2="a26 a79" order="S"/>
                  <bond atomRefs2="a27 a71" order="S"/>
                  <bond atomRefs2="a27 a81" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a28 a76" order="S"/>
                  <bond atomRefs2="a28 a56" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a29 a71" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a30 a60" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a31 a78" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a31 a71" order="S"/>
                  <bond atomRefs2="a32 a48" order="S"/>
                  <bond atomRefs2="a32 a63" order="S"/>
                  <bond atomRefs2="a32 a71" order="S"/>
                  <bond atomRefs2="a33 a65" order="S"/>
                  <bond atomRefs2="a33 a78" order="S"/>
                  <bond atomRefs2="a33 a75" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a77" order="S"/>
                  <bond atomRefs2="a33 a53" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a50" order="S"/>
                  <bond atomRefs2="a35 a81" order="S"/>
                  <bond atomRefs2="a35 a55" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a37 a61" order="S"/>
                  <bond atomRefs2="a37 a53" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a81" order="S"/>
                  <bond atomRefs2="a38 a55" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a39 a65" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
                  <bond atomRefs2="a40 a65" order="S"/>
                  <bond atomRefs2="a40 a70" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a40 a77" order="S"/>
                  <bond atomRefs2="a41 a47" order="S"/>
                  <bond atomRefs2="a41 a67" order="S"/>
                  <bond atomRefs2="a41 a80" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 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">-20.1682 -18.8408 -18.5270 -18.4452 -18.3991 -18.2244 -18.1446 -18.0862 -18.0300 -17.9943 -17.9428 -17.9333 -17.8881 -17.8600 -17.8220 -17.7982 -17.7778 -17.7367 -17.7177 -17.6911 -17.6804 -17.6521 -17.6403 -17.6130 -17.6049 -17.5577 -17.5175 -17.4888 -17.4229 -17.4087 -17.3937 -17.3557 -17.3031 -17.2950 -17.2090 -17.1093 -17.0148 -16.9789 -16.9303 -16.8135 -7.7600 -7.0023 -6.9771 -6.9093 -6.8697 -6.6207 -6.5808 -6.5422 -6.5312 -6.4898 -6.4547 -6.4199 -6.3853 -6.3631 -6.3128 -6.3020 -6.2714 -6.2583 -6.2189 -6.1601 -6.1293 -6.1154 -6.0840 -6.0715 -6.0502 -6.0422 -6.0184 -5.9803 -5.9591 -5.9334 -5.9216 -5.9098 -5.8973 -5.8594 -5.8431 -5.8167 -5.8045 -5.7781 -5.7607 -5.7360 -5.7239 -5.6890 -5.6784 -5.6524 -5.6206 -5.5825 -5.5614 -5.5394 -5.5041 -5.4964 -5.4821 -5.4481 -5.4262 -5.4089 -5.3623 -5.3518 -5.3329 -5.2942 -5.2707 -5.2441 -5.2217 -5.1626 -5.1518 -5.1322 -5.0858 -5.0483 -5.0328 -5.0021 -4.9750 -4.9526 -4.9269 -4.8981 -4.8810 -4.8481 -4.7925 -4.7806 -4.7276 -4.7008 -4.6707 -4.6357 -4.5892 -4.5585 -4.5303 -4.5067 -4.4745 -4.4286 -4.4193 -4.3847 -4.3608 -4.3311 -4.3045 -4.2732 -4.2561 -4.2314 -4.2103 -4.1801 -4.1331 -4.1156 -4.0844 -4.0565 -4.0111 -3.9970 -3.9783 -3.9666 -3.9366 -3.9181 -3.8917 -3.8674 -3.8080 -3.7834 -3.7684 -3.7387 -3.7077 -3.6926 -3.6644 -3.6399 -3.6252 -3.5954 -3.5458 -3.5115 -3.4841 -3.4503 -3.4421 -3.3998 -3.3490 -3.3156 -3.2983 -3.2400 -3.2188 -3.2131 -3.1769 -3.1516 -3.1185 -3.0589 -3.0246 -3.0159 -2.9815 -2.9327 -2.9047 -2.8560 -2.8357 -2.8201 -2.7805 -2.7309 -2.7050 -2.6693 -2.6547 -2.6277 -2.5842 -2.5220 -2.5124 -2.4895 -2.4415 -2.4108 -2.3824 -2.3548 -2.2884 -2.2614 -2.2457 -2.2054 -2.1819 -2.1359 -2.0847 -1.9563 -1.9163 -1.8724 -1.8386 -1.8000 -1.7798 -1.7071 -1.6748 -1.6336 -1.6254 -1.5982 -1.5697 -1.5605 -1.5277 -1.5048 -1.4862 -1.4671 -1.4252 -1.4123 -1.3948 -1.3793 -1.3562 -1.3296 -1.3222 -1.3085 -1.2943 -1.2776 -1.2736 -1.2510 -1.2390 -1.2243 -1.2091 -1.1937 -1.1735 -1.1629 -1.1430 -1.1354 -1.1143 -1.1040 -1.0794 -1.0765 -1.0692 -1.0575 -1.0490 -1.0246 -1.0203 -1.0052 -0.9922 -0.9866 -0.9667 -0.9503 -0.9379 -0.9254 -0.9069 -0.8847 -0.8746 -0.8616 -0.8512 -0.8363 -0.8278 -0.8085 -0.7716 -0.7513 -0.7463 -0.7278 -0.7209 -0.7147 -0.6824 -0.6553 -0.6299 -0.6080 -0.6006 -0.5866 -0.5533 -0.5454 -0.5153 -0.4812 -0.4730 -0.4331 -0.3899 -0.3754 -0.3230 -0.2875 -0.2673 -0.2383 -0.2083 -0.1828 -0.1368 -0.0979 -0.0383 0.0423 0.0699 0.1342 0.1933 0.2297 0.2555 0.3070 0.3464 0.3893 0.4490 0.4931 0.5327 0.5672 0.6068 0.6656 1.1621 1.3243 1.8775 2.8476 3.2506 3.4501 3.6151 4.3105 4.3394 4.4054 4.4524 4.4933 4.5729 4.7696 4.9549 5.0815 5.1771 5.2727 5.3175 5.4704 5.6007 5.6670 5.7501 5.8561 5.9357 5.9979 6.0266 6.0484 6.0786 6.1307 6.2290 6.2593 6.3553 6.3903 6.4556 6.5253 6.6051 6.6899 6.7986 6.8976 7.0119 7.0486 7.0764 7.1012 7.2425 7.3353 7.3936 7.4763 7.5601 7.5986 7.6854 7.7237 7.7538 7.8905 7.9351 8.0213 -20.1682 -18.8411 -18.5225 -18.4472 -18.4049 -18.2106 -18.1450 -18.1108 -18.0320 -17.9736 -17.9493 -17.9277 -17.8838 -17.8583 -17.8285 -17.7937 -17.7672 -17.7478 -17.7259 -17.7034 -17.6764 -17.6470 -17.6315 -17.6215 -17.5982 -17.5648 -17.5146 -17.4859 -17.4222 -17.4101 -17.3949 -17.3531 -17.3044 -17.2952 -17.2092 -17.1083 -17.0170 -16.9776 -16.9302 -16.8136 -7.7602 -6.9976 -6.9767 -6.9149 -6.8555 -6.6506 -6.6018 -6.5431 -6.5041 -6.4647 -6.4490 -6.4265 -6.3762 -6.3590 -6.3135 -6.3130 -6.2685 -6.2505 -6.1840 -6.1701 -6.1583 -6.1215 -6.1076 -6.0912 -6.0427 -6.0322 -6.0241 -6.0004 -5.9777 -5.9533 -5.9301 -5.9143 -5.8882 -5.8740 -5.8599 -5.8250 -5.7870 -5.7701 -5.7392 -5.7280 -5.7183 -5.6943 -5.6393 -5.6300 -5.6048 -5.5963 -5.5667 -5.5460 -5.5164 -5.4927 -5.4699 -5.4547 -5.4215 -5.3770 -5.3505 -5.3254 -5.3136 -5.2907 -5.2568 -5.2365 -5.2030 -5.1813 -5.1699 -5.1328 -5.1012 -5.0912 -5.0064 -4.9987 -4.9831 -4.9597 -4.9226 -4.8885 -4.8651 -4.8422 -4.7965 -4.7705 -4.7385 -4.7139 -4.6730 -4.6522 -4.6052 -4.5788 -4.5645 -4.5051 -4.4565 -4.4520 -4.4148 -4.3929 -4.3628 -4.3319 -4.3102 -4.2819 -4.2560 -4.2355 -4.2094 -4.1826 -4.1650 -4.1285 -4.1182 -4.0482 -4.0215 -3.9948 -3.9667 -3.9511 -3.9113 -3.8975 -3.8877 -3.8451 -3.8313 -3.7952 -3.7588 -3.7214 -3.7102 -3.6896 -3.6642 -3.6309 -3.6060 -3.5681 -3.5318 -3.4983 -3.4842 -3.4574 -3.4279 -3.4080 -3.3697 -3.3424 -3.2908 -3.2474 -3.2069 -3.1746 -3.1582 -3.1254 -3.0977 -3.0766 -3.0302 -2.9872 -2.9652 -2.9528 -2.9125 -2.8720 -2.8618 -2.8226 -2.7782 -2.7398 -2.7042 -2.6663 -2.6489 -2.6264 -2.5968 -2.5704 -2.5416 -2.4621 -2.4468 -2.4171 -2.3892 -2.3392 -2.2964 -2.2674 -2.2213 -2.2035 -2.1791 -2.1470 -2.0953 -1.9653 -1.9452 -1.8864 -1.8421 -1.8149 -1.7817 -1.7171 -1.6552 -1.6250 -1.6105 -1.5923 -1.5619 -1.5557 -1.5355 -1.5049 -1.4681 -1.4487 -1.4356 -1.4133 -1.3999 -1.3795 -1.3649 -1.3347 -1.3169 -1.3098 -1.2951 -1.2852 -1.2703 -1.2431 -1.2347 -1.2189 -1.2080 -1.1911 -1.1672 -1.1611 -1.1505 -1.1303 -1.1176 -1.1048 -1.0908 -1.0789 -1.0584 -1.0382 -1.0322 -1.0214 -1.0172 -1.0054 -0.9851 -0.9744 -0.9533 -0.9431 -0.9352 -0.9099 -0.8932 -0.8825 -0.8761 -0.8696 -0.8525 -0.8439 -0.8257 -0.8127 -0.7881 -0.7584 -0.7454 -0.7314 -0.7167 -0.7005 -0.6888 -0.6657 -0.6307 -0.6206 -0.5947 -0.5801 -0.5555 -0.5463 -0.5150 -0.4913 -0.4615 -0.4396 -0.3954 -0.3737 -0.3388 -0.3058 -0.2713 -0.2499 -0.2156 -0.1783 -0.1365 -0.0704 -0.0415 0.0364 0.0595 0.1334 0.1677 0.2259 0.2589 0.3108 0.3395 0.4073 0.4423 0.5092 0.5337 0.5638 0.6113 0.6698 1.1610 1.3255 1.8765 2.8485 3.2144 3.4592 3.6816 4.2539 4.3292 4.4100 4.4536 4.4739 4.5696 4.7846 4.9341 5.1462 5.2290 5.2747 5.3252 5.4887 5.5744 5.6386 5.6965 5.8130 5.9379 5.9876 6.0355 6.0523 6.0960 6.1453 6.2345 6.2764 6.3422 6.3867 6.4605 6.5717 6.5891 6.7298 6.7432 6.9103 7.0056 7.0457 7.0837 7.1355 7.2447 7.3376 7.3908 7.4629 7.5025 7.5809 7.6589 7.7198 7.7935 7.8893 7.9512 7.9946</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 0.94691 0.06703 0.00001 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 0.98190 0.00414 0.00001 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">-20.1411 -18.7119 -18.3770 -18.3457 -18.2900 -18.0731 -18.0451 -18.0131 -17.9086 -17.8548 -17.8308 -17.7926 -17.7479 -17.7193 -17.6854 -17.6399 -17.6127 -17.6055 -17.5838 -17.5647 -17.5400 -17.5145 -17.4708 -17.4603 -17.4383 -17.4172 -17.3885 -17.3697 -17.3454 -17.3244 -17.2968 -17.2604 -17.2200 -17.1785 -17.1512 -17.1244 -17.0514 -17.0086 -16.9669 -16.8722 -7.7407 -6.9338 -6.9128 -6.8474 -6.7903 -6.5608 -6.5287 -6.4805 -6.4752 -6.4372 -6.4117 -6.3640 -6.3402 -6.3056 -6.2783 -6.2401 -6.2024 -6.1928 -6.1620 -6.1076 -6.0749 -6.0458 -6.0410 -6.0247 -6.0024 -5.9850 -5.9466 -5.9334 -5.9050 -5.8862 -5.8744 -5.8596 -5.8419 -5.8130 -5.7953 -5.7699 -5.7545 -5.7258 -5.7184 -5.6922 -5.6723 -5.6384 -5.6295 -5.5992 -5.5598 -5.5357 -5.4955 -5.4753 -5.4470 -5.4353 -5.4129 -5.3837 -5.3602 -5.3470 -5.2979 -5.2741 -5.2531 -5.1987 -5.1781 -5.1567 -5.1436 -5.0897 -5.0590 -5.0301 -4.9783 -4.9495 -4.9264 -4.8758 -4.8635 -4.8474 -4.7952 -4.7816 -4.7664 -4.7318 -4.6666 -4.6465 -4.6252 -4.5720 -4.5303 -4.5065 -4.4839 -4.4345 -4.4021 -4.3607 -4.3235 -4.2912 -4.2506 -4.1940 -4.1405 -4.1310 -4.0846 -4.0725 -4.0552 -4.0363 -3.9776 -3.9428 -3.9267 -3.9158 -3.8647 -3.8483 -3.8055 -3.7882 -3.7784 -3.7347 -3.7062 -3.6905 -3.6511 -3.6409 -3.6057 -3.5602 -3.5515 -3.5391 -3.4972 -3.4609 -3.4339 -3.4020 -3.3612 -3.3326 -3.3231 -3.2740 -3.2618 -3.2339 -3.2091 -3.1853 -3.1643 -3.1430 -3.1207 -3.0873 -3.0516 -3.0071 -2.9978 -2.9649 -2.9126 -2.8776 -2.8698 -2.8277 -2.8006 -2.7567 -2.7284 -2.6854 -2.6622 -2.6277 -2.6175 -2.5656 -2.5407 -2.5223 -2.4716 -2.4499 -2.4281 -2.3792 -2.3441 -2.3129 -2.2884 -2.2576 -2.1896 -2.1750 -2.1091 -2.0851 -2.0704 -2.0098 -1.9624 -1.9172 -1.8757 -1.7945 -1.7864 -1.7138 -1.7017 -1.6751 -1.6073 -1.5792 -1.5378 -1.4798 -1.4607 -1.4237 -1.3954 -1.3629 -1.3364 -1.3174 -1.2783 -1.2704 -1.2284 -1.1746 -1.1528 -1.1297 -1.0955 -1.0845 -1.0615 -1.0405 -1.0209 -0.9983 -0.9789 -0.9467 -0.9205 -0.9118 -0.8776 -0.8682 -0.8259 -0.7919 -0.7799 -0.7657 -0.7491 -0.7362 -0.7076 -0.6844 -0.6610 -0.6388 -0.6124 -0.5907 -0.5613 -0.5432 -0.4991 -0.4870 -0.4602 -0.4464 -0.4257 -0.3961 -0.3699 -0.3553 -0.3351 -0.3119 -0.2974 -0.2879 -0.2817 -0.2615 -0.2406 -0.2318 -0.2236 -0.2038 -0.1860 -0.1693 -0.1397 -0.1312 -0.1085 -0.0922 -0.0684 -0.0474 -0.0308 -0.0166 0.0075 0.0338 0.0515 0.0830 0.1051 0.1194 0.1507 0.3251 0.3278 0.3735 0.6189 0.6472 0.6820 0.7800 0.8581 0.8888 0.9763 1.0141 1.1348 1.2993 1.3165 1.3607 1.4387 1.5477 1.6091 1.6282 1.6628 1.7957 1.8455 1.9050 1.9176 2.0031 2.0203 2.9333 3.3192 3.5520 3.6963 4.3597 4.4381 4.4841 4.5489 4.5737 4.6609 4.8423 5.0436 5.1529 5.2574 5.3540 5.4099 5.5448 5.6522 5.7493 5.8209 5.9591 6.0187 6.0920 6.1122 6.1372 6.1849 6.2045 6.3137 6.3625 6.4488 6.4932 6.5761 6.6563 6.6769 6.7726 6.8709 6.9771 7.0838 7.1301 7.1465 7.1845 7.3206 7.4133 7.4667 7.5597 7.6457 7.6676 7.7448 7.8022 7.8307 7.9619 8.0158 8.0699 -20.1411 -18.7117 -18.3842 -18.3362 -18.2930 -18.0725 -18.0459 -17.9979 -17.9318 -17.8599 -17.8163 -17.7994 -17.7500 -17.7163 -17.6715 -17.6340 -17.6241 -17.6090 -17.5789 -17.5641 -17.5529 -17.5040 -17.4735 -17.4614 -17.4413 -17.4077 -17.3968 -17.3694 -17.3400 -17.3255 -17.2988 -17.2640 -17.2105 -17.1870 -17.1504 -17.1240 -17.0486 -17.0085 -16.9694 -16.8714 -7.7409 -6.9293 -6.9082 -6.8559 -6.7762 -6.5885 -6.5406 -6.4872 -6.4508 -6.4247 -6.3994 -6.3842 -6.3358 -6.2927 -6.2713 -6.2422 -6.2012 -6.1919 -6.1360 -6.1228 -6.0977 -6.0683 -6.0413 -6.0349 -5.9874 -5.9822 -5.9594 -5.9467 -5.9281 -5.9015 -5.8840 -5.8648 -5.8358 -5.8308 -5.8016 -5.7796 -5.7368 -5.7202 -5.6935 -5.6825 -5.6682 -5.6398 -5.5950 -5.5812 -5.5515 -5.5275 -5.5223 -5.4880 -5.4588 -5.4194 -5.4042 -5.3860 -5.3588 -5.3126 -5.2901 -5.2608 -5.2224 -5.1981 -5.1666 -5.1451 -5.1183 -5.0946 -5.0735 -5.0208 -4.9956 -4.9741 -4.9301 -4.9118 -4.8665 -4.8560 -4.8078 -4.7884 -4.7524 -4.7082 -4.6942 -4.6333 -4.6077 -4.5958 -4.5402 -4.5104 -4.4731 -4.4442 -4.4078 -4.3615 -4.3228 -4.2822 -4.2351 -4.1904 -4.1746 -4.1484 -4.1122 -4.0931 -4.0660 -4.0166 -4.0049 -3.9549 -3.9230 -3.9118 -3.8971 -3.8432 -3.8380 -3.8030 -3.7388 -3.7232 -3.6977 -3.6798 -3.6546 -3.6251 -3.5670 -3.5526 -3.5310 -3.4894 -3.4744 -3.4479 -3.4314 -3.4098 -3.3668 -3.3472 -3.3235 -3.3005 -3.2723 -3.2493 -3.2164 -3.1946 -3.1741 -3.1504 -3.1230 -3.0675 -3.0331 -2.9949 -2.9608 -2.9239 -2.9122 -2.8861 -2.8628 -2.8070 -2.7881 -2.7603 -2.7369 -2.7018 -2.6657 -2.6491 -2.6116 -2.5888 -2.5561 -2.5281 -2.4979 -2.4309 -2.4055 -2.3990 -2.3482 -2.3124 -2.2719 -2.2404 -2.1987 -2.1885 -2.1320 -2.0598 -2.0573 -2.0118 -1.9682 -1.9475 -1.8956 -1.8035 -1.7813 -1.7520 -1.7088 -1.6704 -1.6247 -1.5683 -1.5314 -1.4852 -1.4686 -1.4108 -1.3935 -1.3531 -1.3282 -1.3032 -1.2803 -1.2627 -1.2033 -1.1775 -1.1452 -1.1383 -1.1058 -1.0860 -1.0698 -1.0372 -1.0153 -0.9935 -0.9694 -0.9469 -0.9285 -0.9101 -0.8748 -0.8682 -0.8275 -0.7965 -0.7712 -0.7634 -0.7510 -0.7265 -0.7003 -0.6948 -0.6572 -0.6371 -0.6071 -0.5868 -0.5595 -0.5514 -0.4892 -0.4790 -0.4611 -0.4465 -0.4360 -0.4129 -0.3711 -0.3461 -0.3339 -0.3124 -0.3019 -0.2812 -0.2679 -0.2560 -0.2432 -0.2362 -0.2110 -0.1995 -0.1762 -0.1589 -0.1481 -0.1199 -0.1094 -0.0993 -0.0892 -0.0545 -0.0309 -0.0166 0.0010 0.0224 0.0519 0.0816 0.1061 0.1120 0.1506 0.3217 0.3281 0.3735 0.6201 0.6467 0.6824 0.7807 0.8493 0.8889 0.9752 1.0139 1.1313 1.2986 1.3216 1.3612 1.4392 1.5508 1.5979 1.6381 1.6488 1.8129 1.8461 1.8990 1.9216 2.0037 2.0166 2.9350 3.2866 3.5611 3.7532 4.2980 4.4307 4.4818 4.5473 4.5808 4.6696 4.8642 5.0189 5.2138 5.3090 5.3397 5.4104 5.5555 5.6293 5.7166 5.7823 5.8792 6.0370 6.0770 6.1049 6.1687 6.1878 6.2480 6.3071 6.3702 6.4578 6.5140 6.5626 6.6648 6.6934 6.7939 6.8488 6.9747 7.0619 7.1202 7.1687 7.2310 7.3266 7.4090 7.4707 7.5405 7.5687 7.6461 7.7372 7.8071 7.8818 7.9648 8.0066 8.0632</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 0.00000 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 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 0.00000 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 0.00000</array>
                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="243"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="58"
                          units="nonsi2:ev.angstrom-1">0.242275 0.060076 -0.278712 -0.116485 -0.064263 0.190716 0.029711 -0.091906 0.186663 -0.019139 0.065195 -0.430504 0.037885 -0.048380 -0.619672 -0.105109 0.046535 0.018087 -0.110666 0.012029 -0.083345 0.127865 -0.051863 0.207037 -0.010220 0.052758 0.226710 -0.057050 0.094773 -0.154593 0.024059 -0.037205 0.057067 0.127828 -0.137647 -0.148800 0.180833 -1.593300 -0.567386 0.268588 0.074946 -0.183939 0.118198 0.126937 -0.176019 -0.012559 0.189950 -0.010472 -0.004703 -0.025196 -0.085996 -0.176265 -0.180704 -0.220390 -1.671481 -0.021351 -0.600339 0.159556 -0.069181 -0.300661 0.008113 -0.028883 0.009608 0.057401 -0.076163 0.004946 -0.112859 0.026589 -0.412606 -0.045439 0.118585 -0.808398 -0.042587 0.024046 -0.287374 -0.022003 -0.109409 -0.549611 -0.060929 -0.037679 0.019725 0.058133 0.005324 -0.673571 0.035360 0.014713 0.009612 0.074468 0.000038 -0.160567 1.297988 -0.002743 -0.202842 0.208770 1.920374 -0.586352 -0.038686 0.002247 -0.065276 -0.022049 -0.052297 -0.057898 -0.070268 0.030343 -0.112264 -0.205677 0.093724 -0.113992 -0.144181 -0.154810 -0.243908 -0.140570 0.156087 -0.287069 0.074160 -0.023529 -1.788496 0.040922 0.018133 -0.203067 0.020673 0.057392 -0.212951 -0.498875 0.281117 0.428197 -0.049751 0.547239 0.393132 0.350537 -0.249635 0.235457 -0.029414 0.002722 -0.046688 0.141110 -0.305880 -0.282776 -0.012215 -0.202254 0.000738 -0.236101 0.045187 0.135078 0.031679 0.345880 -0.163967 0.080364 0.170109 0.147920 -0.468118 0.235281 0.109913 0.512945 0.005698 0.830997 0.050363 0.083110 0.145340 -0.220366 0.206617 1.213480 0.068701 0.009742 0.113746 -0.208832 -0.310033 0.082365 -0.015684 0.240467 0.005183 0.246922 -0.040530 0.165966 -0.006141 0.119663 0.524614 -0.129041 0.015585 0.120918 0.602049 0.463893 0.247250 -0.054286 -0.351739 -0.203345 -0.022498 -0.452184 0.528997 -0.038207 0.256513 -0.093517 -0.399434 0.006014 0.336220 0.264757 0.309696 0.169595 -0.057877 0.181153 0.146866 -0.894217 -0.485178 2.210184 -0.077287 -0.211578 0.018228 -0.273497 -0.114780 0.097213 -0.521041 -0.218427 0.080492 0.018859 -0.002241 -0.352594 0.041374 -0.166508 0.057067 0.006875 -0.218541 0.897852 0.537219 -0.003527 0.409504 -0.266847 0.307880 0.156061 0.121067 -0.258654 0.130085 0.466838 0.037924 0.024301 0.080177 -0.106857 0.314750 0.264652 -0.109624 0.150582 0.589378 -0.447607 0.211495 0.511049 0.254152 6.712856 -0.119425 -0.061960 0.187503 0.031326 -0.091294 0.171132 -0.032613 0.068864 -0.421374 0.024757 -0.050192 -0.606975 -0.027120 -0.138605 0.054176 -0.039486 0.022711 -0.002617 0.126013 -0.048366 0.209809 -0.000848 -0.000307 0.081378 -0.064577 0.036751 -0.035178 -0.016908 0.001422 -0.114199 -0.014161 0.008642 0.019286 -0.051397 -0.407906 -0.123151 0.262633 0.066349 -0.174432 -0.032550 -0.021035 -0.036992 -0.012271 0.183995 -0.016319 0.007220 -0.018326 -0.041193 -0.178422 -0.168637 -0.225352 -0.185166 -0.058329 -0.189619 0.162981 -0.060867 -0.279190 0.019325 -0.014927 0.019378 0.016480 -0.032691 -0.008934 -0.117251 0.022913 -0.428916 -0.042308 0.117798 -0.813641 -0.035416 0.004323 -0.278035 -0.018482 -0.110259 -0.537618 -0.023404 0.084515 0.034436 0.058387 0.000733 -0.660886 0.126682 0.044790 0.045972 0.050210 -0.080902 -0.081900 0.399416 0.024017 -0.182095 0.005682 0.381411 -0.316853 -0.055241 -0.031061 -0.187981 -0.014242 -0.032641 -0.034877 -0.189014 0.048384 -0.007775 -0.200688 0.088240 -0.108969 0.004234 0.003374 -0.037064 0.024288 -0.007002 -0.097714 -0.065344 -0.031232 -0.724547 0.112659 0.024195 -0.028818 0.027618 0.113378 -0.075256 -0.492581 0.294708 0.451301 -0.004394 0.141390 -0.062132 0.350421 -0.242879 0.229319 -0.014592 -0.003028 -0.005175 0.136453 -0.303020 -0.277194 -0.019821 -0.120152 0.001654 -0.248192 0.242905 0.127196 0.028496 0.358670 -0.151262 0.022153 0.133361 0.072789 -0.037414 0.156270 0.012948 0.508378 0.008350 0.771942 -0.010506 0.056015 0.156224 -0.221480 0.202905 1.208588 0.050596 0.000626 0.024526 -0.201567 -0.311864 0.080849 0.024078 0.169520 -0.004310 0.241691 -0.036458 0.118909 -0.000411 0.112606 0.531331 -0.023300 0.011714 0.043579 0.090974 0.024515 0.061424 -0.053511 -0.366944 -0.249892 -0.010132 -0.139384 0.183497 -0.043281 0.249199 -0.102697 -0.036497 0.013508 0.111021 0.266551 0.305291 0.177712 -0.064932 0.132199 -0.181322 -0.822907 -0.324775 -5.468575 -0.074945 -0.222699 0.021457 -0.185911 -0.108699 0.055012 -0.113419 -0.194963 0.025728 0.020573 -0.010045 -0.309035 -0.027552 -0.091576 0.083141 0.012808 -0.220365 0.867788 0.201272 0.009565 0.029772 -0.267113 0.308174 0.160955 0.082951 -0.178380 0.088818 0.098304 0.030896 -0.002799 0.076368 -0.099498 0.316706 0.161279 -0.051687 0.088731 0.166483 -0.070389 0.054022 0.390718 0.186290 5.250795 -0.118969 -0.061738 0.188039 0.031020 -0.090522 0.172792 -0.030249 0.068673 -0.422305 0.026816 -0.050504 -0.608148 -0.048597 -0.112811 0.052754 -0.049435 0.021450 -0.017069 0.126361 -0.048603 0.209382 -0.003561 0.007424 0.102314 -0.061402 0.046542 -0.053415 -0.010255 -0.004053 -0.088985 0.007410 -0.012193 -0.003355 -0.014299 -0.589557 -0.197364 0.263258 0.066320 -0.172735 -0.008557 0.002618 -0.055073 -0.012416 0.183425 -0.014993 0.004707 -0.019546 -0.047321 -0.176572 -0.169154 -0.222854 -0.419230 -0.058206 -0.256519 0.161070 -0.060728 -0.280556 0.017791 -0.016182 0.019407 0.021675 -0.038724 -0.003750 -0.117630 0.023319 -0.425831 -0.042214 0.117474 -0.812812 -0.036255 0.007071 -0.279083 -0.018534 -0.108992 -0.534261 -0.034377 0.067438 0.031904 0.058323 0.001059 -0.659790 0.109276 0.040547 0.041125 0.055003 -0.069709 -0.093799 0.525137 0.020878 -0.187405 0.037048 0.603988 -0.368311 -0.053798 -0.025671 -0.169121 -0.015719 -0.036705 -0.037414 -0.172845 0.047037 -0.026457 -0.201312 0.088355 -0.108094 -0.018176 -0.022090 -0.067877 -0.001927 0.019298 -0.129267 -0.042628 -0.029651 -0.870525 0.100352 0.022984 -0.051278 0.027713 0.106392 -0.094969 -0.493092 0.292702 0.448501 -0.010440 0.198662 0.004239 0.350201 -0.242246 0.227817 -0.016357 -0.003157 -0.008020 0.137137 -0.302858 -0.278139 -0.025082 -0.133424 -0.000380 -0.263871 0.204627 0.131338 0.028970 0.357756 -0.150842 0.031092 0.138694 0.083170 -0.092896 0.177460 0.026272 0.509237 0.007993 0.777836 0.000017 0.060266 0.153165 -0.221070 0.203685 1.209410 0.053141 0.001681 0.038911 -0.202517 -0.310862 0.080599 0.025193 0.179662 -0.008074 0.260227 -0.034742 0.132945 -0.000636 0.113278 0.530512 -0.039298 0.014621 0.053471 0.162601 0.090692 0.086001 -0.053799 -0.364620 -0.242274 -0.013334 -0.184570 0.237324 -0.042533 0.248567 -0.100649 -0.087943 0.012161 0.137846 0.264962 0.305469 0.177019 -0.066087 0.138275 -0.122258 -0.750066 -0.292993 -3.914808 -0.075353 -0.221911 0.020782 -0.199294 -0.108796 0.059599 -0.171879 -0.205653 0.032702 0.020619 -0.009015 -0.315259 -0.016445 -0.102423 0.079803 0.012249 -0.220263 0.868780 0.246331 0.008668 0.086746 -0.265479 0.307471 0.160839 0.089193 -0.190352 0.092794 0.175620 0.032354 -0.000392 0.077005 -0.100318 0.317273 0.177513 -0.060913 0.098200 0.231444 -0.128869 0.079426 0.227805 0.118230 2.027667 -0.120368 -0.061196 0.187810 0.031805 -0.091494 0.169199 -0.036684 0.070132 -0.416194 0.020302 -0.049656 -0.600727 0.017471 -0.162123 0.064284 -0.017321 0.022364 0.020725 0.125078 -0.047054 0.210382 0.004308 -0.012261 0.041311 -0.056848 0.016773 0.001075 -0.030874 0.010476 -0.154380 -0.054212 0.051473 0.055545 -0.114636 -0.067938 -0.004792 0.261798 0.064647 -0.174898 -0.077522 -0.064497 0.000382 -0.012735 0.183827 -0.018589 0.012040 -0.013032 -0.025690 -0.180842 -0.165608 -0.224693 0.248892 -0.058339 -0.077154 0.165776 -0.058834 -0.272020 0.021484 -0.012977 0.022329 0.007972 -0.019155 -0.016691 -0.118266 0.021934 -0.433705 -0.042541 0.118596 -0.815304 -0.033887 -0.000040 -0.273524 -0.018481 -0.111524 -0.537505 0.003717 0.110529 0.038719 0.058127 -0.000104 -0.655808 0.146641 0.047710 0.055018 0.042701 -0.097545 -0.055372 0.164851 0.028350 -0.165507 -0.064078 -0.009195 -0.217792 -0.050914 -0.040895 -0.214563 -0.010521 -0.023846 -0.025245 -0.206841 0.046585 0.027481 -0.200338 0.087609 -0.110310 0.046648 0.053698 0.020354 0.073349 -0.057971 -0.037872 -0.101426 -0.035006 -0.445275 0.126293 0.024086 0.017659 0.026690 0.116614 -0.032265 -0.491175 0.297498 0.460662 0.015654 -0.001282 -0.216397 0.349952 -0.242923 0.234317 -0.006672 -0.006088 0.001813 0.134761 -0.300591 -0.273757 -0.006863 -0.094981 -0.002238 -0.204074 0.293651 0.118725 0.028734 0.361810 -0.149831 0.013979 0.115496 0.050213 0.073175 0.110258 -0.005711 0.506250 0.009667 0.752366 -0.029821 0.039668 0.152364 -0.221764 0.201904 1.209533 0.040436 -0.003387 -0.008773 -0.199986 -0.309983 0.082610 0.016069 0.140092 0.002043 0.195130 -0.039528 0.101882 -0.000638 0.111221 0.533940 0.001173 0.008277 0.015159 -0.059683 -0.105795 0.017280 -0.053524 -0.368547 -0.268021 0.002881 -0.024346 0.041697 -0.043318 0.249807 -0.106090 0.071236 0.013066 0.044400 0.268154 0.303148 0.181250 -0.063453 0.123418 -0.303230 -0.415372 -0.133892 -0.867472 -0.073802 -0.224424 0.023875 -0.148392 -0.101200 0.040492 0.006884 -0.163532 0.017821 0.019809 -0.011886 -0.293381 -0.047797 -0.060876 0.085899 0.012006 -0.220564 0.862017 0.068478 0.017232 -0.114733 -0.269178 0.306131 0.163089 0.065163 -0.152141 0.069210 -0.074058 0.017658 -0.008117 0.074266 -0.096989 0.317028 0.123788 -0.032229 0.066109 0.037180 0.041834 0.017895 0.000903 0.020353 -0.181651 -0.121238 -0.060997 0.185733 0.032099 -0.092014 0.163951 -0.041042 0.071739 -0.410996 0.015326 -0.048464 -0.592919 0.077136 -0.207270 0.079048 0.013925 0.020572 0.059518 0.124350 -0.046010 0.208754 0.009269 -0.029918 -0.007850 -0.053466 -0.013248 0.048209 -0.049756 0.020464 -0.218209 -0.112560 0.116008 0.107374 -0.203496 0.429467 0.173356 0.261469 0.064313 -0.178443 -0.141707 -0.126897 0.051019 -0.011965 0.184971 -0.022887 0.018408 -0.008113 -0.007944 -0.182233 -0.162761 -0.228003 0.912340 -0.052358 0.088395 0.168517 -0.058299 -0.266280 0.025366 -0.010298 0.023869 -0.004833 -0.000278 -0.027731 -0.118687 0.020887 -0.443462 -0.041657 0.118974 -0.821382 -0.032354 -0.006381 -0.266902 -0.017443 -0.113679 -0.537209 0.035017 0.151245 0.044078 0.058149 -0.001124 -0.659025 0.185485 0.053361 0.066973 0.032468 -0.122054 -0.023024 -0.153011 0.036221 -0.144575 -0.159843 -0.595413 -0.079639 -0.052620 -0.055529 -0.258952 -0.007431 -0.011074 -0.013390 -0.237824 0.044659 0.077414 -0.199388 0.086320 -0.112650 0.109414 0.123780 0.102107 0.146230 -0.129859 0.052176 -0.150920 -0.042409 -0.014587 0.150713 0.021736 0.077259 0.028242 0.127186 0.020404 -0.489414 0.302287 0.474135 0.035372 -0.173783 -0.417051 0.350000 -0.244002 0.238881 -0.000776 -0.006902 0.012959 0.135146 -0.299979 -0.271059 0.007732 -0.061808 -0.005117 -0.150908 0.395181 0.120581 0.026578 0.364101 -0.150386 -0.001212 0.099153 0.022239 0.228724 0.037781 -0.033987 0.504366 0.011453 0.736197 -0.055961 0.022525 0.149354 -0.221939 0.199699 1.211012 0.033492 -0.005842 -0.048005 -0.199775 -0.312784 0.082277 0.008664 0.105916 0.005047 0.124571 -0.043111 0.072857 0.002304 0.112004 0.534732 0.035887 0.006060 -0.021045 -0.261838 -0.284665 -0.060156 -0.053268 -0.372277 -0.290198 0.010313 0.111183 -0.130200 -0.043975 0.251435 -0.110510 0.210121 0.015530 -0.032110 0.267161 0.302403 0.183403 -0.066244 0.115659 -0.499351 -0.038559 0.025963 1.178208 -0.072011 -0.225462 0.024756 -0.111786 -0.093604 0.024703 0.170718 -0.116249 0.001342 0.019578 -0.014678 -0.273745 -0.073556 -0.022813 0.086584 0.012334 -0.220034 0.852713 -0.081917 0.018636 -0.297087 -0.267535 0.308694 0.163539 0.043340 -0.119195 0.045793 -0.359215 -0.001039 -0.003959 0.072210 -0.095939 0.315332 0.071789 -0.003741 0.033587 -0.131863 0.194437 -0.038192 0.105409 0.065460 0.703438 -0.120811 -0.061087 0.186324 0.031885 -0.091544 0.165959 -0.038772 0.071270 -0.412293 0.017665 -0.049195 -0.595201 0.049663 -0.186786 0.072602 -0.001310 0.021446 0.041024 0.124771 -0.046524 0.208965 0.007421 -0.022152 0.013402 -0.054030 0.001682 0.027365 -0.041545 0.016408 -0.190435 -0.086625 0.087516 0.083451 -0.164359 0.209988 0.092500 0.261827 0.063898 -0.176639 -0.113696 -0.098917 0.027298 -0.012308 0.183855 -0.020977 0.016225 -0.010940 -0.015877 -0.181379 -0.163796 -0.226316 0.620389 -0.056133 0.014926 0.167237 -0.058051 -0.268584 0.023756 -0.011578 0.023375 0.000813 -0.008692 -0.022565 -0.118891 0.021190 -0.439576 -0.041653 0.118626 -0.819469 -0.033142 -0.003512 -0.268811 -0.017542 -0.112647 -0.536786 0.020882 0.133360 0.041604 0.058154 -0.000794 -0.656505 0.168433 0.050935 0.061517 0.037330 -0.110584 -0.038379 -0.011196 0.031860 -0.153611 -0.118841 -0.339009 -0.140213 -0.052309 -0.049075 -0.240682 -0.008979 -0.016980 -0.018098 -0.225830 0.045288 0.053914 -0.199899 0.086479 -0.111314 0.081059 0.091779 0.065305 0.113212 -0.097101 0.010252 -0.131564 -0.038578 -0.207975 0.140006 0.023192 0.051076 0.027488 0.122458 -0.002403 -0.490028 0.300350 0.469916 0.026641 -0.098663 -0.327436 0.349950 -0.243496 0.236668 -0.004500 -0.005885 0.010234 0.135931 -0.300175 -0.272393 0.001400 -0.077175 -0.003870 -0.174681 0.350168 0.121267 0.027638 0.362965 -0.149297 0.005830 0.107393 0.033386 0.154066 0.070628 -0.020084 0.505357 0.010559 0.742972 -0.043588 0.030220 0.146844 -0.221725 0.200524 1.211316 0.037275 -0.004499 -0.030155 -0.200591 -0.311349 0.082060 0.010879 0.123055 0.003086 0.156454 -0.042689 0.087405 0.001114 0.111699 0.534501 0.020330 0.007742 -0.004451 -0.171611 -0.207012 -0.028788 -0.053471 -0.370726 -0.279280 0.003628 0.051984 -0.050138 -0.043700 0.250630 -0.108171 0.145533 0.014974 0.002856 0.267739 0.302497 0.182468 -0.065443 0.120562 -0.405172 -0.205104 -0.045678 0.353108 -0.072658 -0.224606 0.024101 -0.133371 -0.099363 0.033101 0.093935 -0.137368 0.008204 0.019852 -0.013556 -0.281708 -0.061551 -0.040825 0.086475 0.012365 -0.220121 0.857251 -0.010296 0.019476 -0.213541 -0.268078 0.307166 0.163395 0.054056 -0.134445 0.056549 -0.223944 0.008955 -0.004896 0.073050 -0.096394 0.315838 0.096758 -0.017293 0.047930 -0.054385 0.126758 -0.013132 0.089566 0.054989 0.501857 -0.120962 -0.061125 0.187794 0.032027 -0.092145 0.166889 -0.036533 0.069555 -0.411538 0.017104 -0.047837 -0.595517 0.045206 -0.145065 0.071747 0.000106 0.017044 0.033265 0.124748 -0.046748 0.209112 0.007090 -0.014641 0.019961 -0.041399 0.000908 0.013880 -0.038673 0.016794 -0.157435 -0.073751 0.077076 0.078665 -0.147092 0.188768 0.073040 0.261980 0.065618 -0.176688 -0.098687 -0.088370 0.027218 -0.012089 0.185128 -0.021096 0.008948 -0.010003 -0.011778 -0.179799 -0.161940 -0.229187 0.508389 -0.052621 0.013189 0.167040 -0.060350 -0.270332 0.021798 -0.013843 0.024215 0.006867 -0.007073 -0.016629 -0.118011 0.021253 -0.440564 -0.041818 0.118305 -0.819829 -0.033448 -0.001887 -0.267930 -0.017767 -0.113029 -0.535487 0.022518 0.114730 0.037274 0.058280 -0.000761 -0.660834 0.134496 0.044451 0.058230 0.036587 -0.099606 -0.043561 -0.013366 0.029402 -0.145630 -0.107608 -0.252566 -0.129608 -0.043056 -0.046975 -0.213683 -0.007847 -0.021494 -0.014839 -0.192792 0.037222 0.049693 -0.200101 0.084920 -0.115428 0.064651 0.073921 0.054419 0.092242 -0.079459 0.007419 -0.106856 -0.036775 -0.231175 0.124618 0.020936 0.040452 0.026981 0.105598 -0.012947 -0.490246 0.296419 0.469667 0.022956 -0.080320 -0.290511 0.350131 -0.244490 0.236539 -0.004423 -0.006738 0.010724 0.134773 -0.300845 -0.273107 0.003400 -0.071837 -0.011120 -0.155615 0.282621 0.107969 0.026100 0.362622 -0.151957 0.004019 0.104068 0.034197 0.139011 0.069662 -0.020873 0.505505 0.011226 0.743724 -0.038696 0.027134 0.145580 -0.221577 0.200245 1.209791 0.032034 -0.004590 -0.031280 -0.199720 -0.314335 0.081320 0.006600 0.116482 0.004180 0.143824 -0.047309 0.088968 0.002577 0.112209 0.534006 0.023781 0.006325 -0.003524 -0.164146 -0.180959 -0.028685 -0.054871 -0.365912 -0.288959 0.005697 0.037509 -0.039865 -0.039461 0.250388 -0.111442 0.110227 0.010824 0.004049 0.265894 0.303044 0.181309 -0.059236 0.116523 -0.367206 -0.189568 -0.040361 0.548498 -0.071887 -0.224875 0.023154 -0.122108 -0.094726 0.032175 0.076728 -0.126053 0.007269 0.019703 -0.014370 -0.280754 -0.054154 -0.036587 0.081469 0.007327 -0.220226 0.853099 0.001513 0.015168 -0.189479 -0.266465 0.310232 0.162170 0.051810 -0.130858 0.051489 -0.132969 0.003132 -0.014398 0.072219 -0.096873 0.314892 0.086369 -0.013963 0.046490 -0.046647 0.108084 -0.016170 0.038500 0.024292 -0.059918 -0.120930 -0.059933 0.191900 0.032701 -0.091591 0.169621 -0.030161 0.066778 -0.405021 0.015856 -0.045531 -0.591079 0.032146 -0.026373 0.058777 0.004402 0.004468 0.008865 0.124393 -0.046722 0.207368 0.005247 0.007677 0.039973 -0.002905 -0.004023 -0.024136 -0.031020 0.026008 -0.063947 -0.035441 0.048627 0.058026 -0.094699 0.123715 0.013834 0.263929 0.065497 -0.173666 -0.053133 -0.053047 0.023122 -0.012663 0.183784 -0.022533 -0.009106 -0.005882 -0.001675 -0.175547 -0.155058 -0.236955 0.177924 -0.042310 0.000120 0.167269 -0.061593 -0.272373 0.016396 -0.020469 0.028809 0.023388 -0.002608 -0.000002 -0.118974 0.020452 -0.443837 -0.040961 0.117981 -0.822299 -0.033827 0.002078 -0.262774 -0.017329 -0.113531 -0.530146 0.026963 0.060284 0.024476 0.058137 -0.001335 -0.657591 0.038709 0.026929 0.047152 0.037549 -0.062813 -0.064172 -0.015758 0.020758 -0.121082 -0.071704 -0.012517 -0.101148 -0.013041 -0.042235 -0.137758 -0.003104 -0.036737 -0.001837 -0.099187 0.008992 0.035497 -0.200992 0.079936 -0.125263 0.015325 0.018117 0.018210 0.030580 -0.021604 -0.005562 -0.037890 -0.033156 -0.307296 0.081043 0.018498 0.009568 0.027959 0.054406 -0.045034 -0.488572 0.284375 0.478390 0.009357 -0.012011 -0.168126 0.349854 -0.241662 0.239706 -0.007072 -0.007032 0.009684 0.135182 -0.298590 -0.272724 0.012947 -0.059141 -0.029768 -0.102623 0.073780 0.067692 0.027075 0.363529 -0.149545 0.003622 0.089585 0.033555 0.078587 0.068531 -0.018893 0.504824 0.013271 0.730761 -0.014551 0.016211 0.118982 -0.219934 0.199322 1.213059 0.019042 -0.002713 -0.035094 -0.200365 -0.312342 0.081894 -0.009447 0.085686 0.005075 0.099075 -0.055481 0.089459 0.002426 0.110841 0.535093 0.024044 0.003976 0.001640 -0.129507 -0.078457 -0.035802 -0.058153 -0.348550 -0.313620 0.009719 -0.011986 -0.008961 -0.024307 0.244609 -0.118864 -0.015825 0.003886 0.003351 0.267631 0.300593 0.181091 -0.045212 0.105978 -0.230830 -0.123138 -0.029777 1.070776 -0.069048 -0.225097 0.023106 -0.087714 -0.076946 0.024371 0.012738 -0.101665 0.004231 0.018353 -0.016787 -0.270131 -0.027472 -0.023218 0.056403 -0.009356 -0.220183 0.845370 0.041355 -0.001837 -0.106872 -0.267986 0.307571 0.162165 0.044993 -0.113752 0.032386 0.133008 -0.015617 -0.039469 0.069207 -0.095053 0.313873 0.050132 -0.007659 0.043859 -0.012936 0.043599 -0.025489 -0.078548 -0.039441 -1.052038 -0.121119 -0.057606 0.199491 0.033222 -0.090522 0.174215 -0.016915 0.060963 -0.394264 0.013956 -0.039964 -0.584193 -0.002250 0.215646 0.043475 0.012473 -0.023116 -0.038411 0.123617 -0.046420 0.203790 0.001811 0.052383 0.079103 0.078410 -0.010056 -0.103110 -0.014889 0.031296 0.114379 0.044137 -0.013668 0.022057 0.009957 -0.007146 -0.089042 0.267030 0.067792 -0.169769 0.034595 0.017109 0.016970 -0.013624 0.183373 -0.025180 -0.045268 0.002951 0.019346 -0.166980 -0.142148 -0.263857 -0.424730 -0.011527 -0.020554 0.167420 -0.065843 -0.279224 0.005096 -0.033264 0.036490 0.055857 0.007228 0.032715 -0.120003 0.019598 -0.451518 -0.039434 0.117340 -0.826974 -0.035538 0.010506 -0.252851 -0.016414 -0.114182 -0.520069 0.034550 -0.049022 0.001325 0.057843 -0.001967 -0.657598 -0.140897 -0.002562 0.027104 0.039288 0.011261 -0.106799 -0.027124 0.003161 -0.069996 -0.003887 0.401108 -0.034810 0.051646 -0.030428 0.022120 0.005574 -0.065896 0.021624 0.091600 -0.048432 0.012727 -0.203148 0.070816 -0.146909 -0.079620 -0.091811 -0.048348 -0.089118 0.091442 -0.028498 0.092663 -0.025262 -0.454186 -0.007961 0.014052 -0.049317 0.026065 -0.053515 -0.105110 -0.487273 0.262280 0.492704 -0.014767 0.110673 0.043590 0.349847 -0.237837 0.242242 -0.011660 -0.008036 0.009451 0.133396 -0.295848 -0.273637 0.029444 -0.032835 -0.071620 0.000817 -0.291800 -0.007902 0.025428 0.365865 -0.147872 -0.000888 0.067973 0.032157 -0.022914 0.066674 -0.017755 0.504890 0.017784 0.712099 0.031087 -0.008924 0.074761 -0.217744 0.198315 1.215000 -0.006706 -0.000224 -0.040845 -0.199420 -0.313692 0.081204 -0.040207 0.037719 0.009169 0.009440 -0.081940 0.093669 0.004814 0.108324 0.536968 0.028833 0.001186 0.010733 -0.066225 0.109599 -0.052335 -0.065788 -0.316076 -0.362530 0.013389 -0.102009 0.047307 0.002946 0.235274 -0.134166 -0.249128 -0.013132 0.000382 0.268917 0.298162 0.179497 -0.016839 0.085482 0.031558 0.034686 -0.005454 2.000652 -0.063625 -0.225705 0.020931 -0.017968 -0.047639 0.011278 -0.113090 -0.041903 0.002239 0.016609 -0.020845 -0.253060 0.026138 0.002159 0.012593 -0.040838 -0.219706 0.829143 0.111051 -0.030299 0.044993 -0.269204 0.308848 0.159937 0.031938 -0.079079 -0.006529 0.579242 -0.058765 -0.090107 0.063092 -0.090812 0.311033 -0.015134 0.006539 0.038353 0.054073 -0.074525 -0.039595 -0.030002 -0.013816 -0.675426 -0.121125 -0.058686 0.196654 0.032847 -0.091078 0.172604 -0.022445 0.063245 -0.398200 0.014375 -0.042372 -0.586567 0.016189 0.117153 0.049181 0.009480 -0.010325 -0.018529 0.123775 -0.046538 0.206149 0.002493 0.034316 0.063401 0.045602 -0.008037 -0.069943 -0.022210 0.030939 0.042245 0.012938 0.011455 0.036414 -0.032536 0.045169 -0.050911 0.265338 0.067230 -0.171252 -0.000186 -0.011021 0.018327 -0.013215 0.183992 -0.023586 -0.030691 -0.000972 0.010962 -0.170669 -0.147319 -0.251273 -0.189225 -0.026284 -0.013785 0.167374 -0.064703 -0.276415 0.009507 -0.028280 0.033673 0.042583 0.003221 0.019267 -0.119557 0.019819 -0.448396 -0.040123 0.117465 -0.824348 -0.034866 0.006944 -0.255844 -0.016748 -0.113958 -0.524843 0.031822 -0.004913 0.010736 0.057851 -0.001852 -0.658035 -0.069497 0.008161 0.035043 0.038350 -0.018695 -0.090115 -0.023726 0.010552 -0.090127 -0.029229 0.244815 -0.060216 0.026488 -0.035543 -0.043559 0.001845 -0.053999 0.012458 0.013465 -0.023967 0.021469 -0.202252 0.074172 -0.138028 -0.041382 -0.047655 -0.021881 -0.041123 0.045111 -0.019163 0.041800 -0.028975 -0.394422 0.028602 0.015995 -0.026589 0.027688 -0.009911 -0.080257 -0.488363 0.272560 0.487880 -0.002816 0.062010 -0.041649 0.350073 -0.240608 0.240650 -0.009439 -0.008114 0.010063 0.133232 -0.297755 -0.273128 0.024293 -0.044175 -0.054767 -0.041540 -0.150820 0.023410 0.025506 0.364644 -0.148827 0.000415 0.078002 0.032864 0.021158 0.068200 -0.018093 0.505147 0.015743 0.721602 0.010486 0.001913 0.093820 -0.219019 0.198825 1.213413 0.004168 -0.001337 -0.035934 -0.199003 -0.314811 0.081671 -0.029920 0.054549 0.005069 0.047192 -0.068013 0.092754 0.004051 0.108032 0.536431 0.028319 0.003101 0.006843 -0.094790 0.030003 -0.042253 -0.062892 -0.330817 -0.341370 0.011716 -0.063408 0.023235 -0.009431 0.239836 -0.127424 -0.149226 -0.003994 0.002198 0.269279 0.299784 0.180881 -0.027384 0.091392 -0.081020 -0.036156 -0.012083 1.650378 -0.065774 -0.225560 0.021973 -0.045619 -0.059307 0.014505 -0.059230 -0.067362 0.002244 0.017270 -0.019186 -0.260844 0.002610 -0.008988 0.030742 -0.026744 -0.219925 0.837845 0.080874 -0.018128 -0.021547 -0.269741 0.309743 0.160799 0.036770 -0.094918 0.009948 0.403632 -0.042454 -0.071136 0.065292 -0.091549 0.312452 0.010925 -0.001757 0.039178 0.025075 -0.024120 -0.031729 0.019702 0.011139 -0.198101 -0.121102 -0.058399 0.197765 0.033261 -0.091197 0.173322 -0.020601 0.062412 -0.396371 0.013721 -0.041548 -0.586452 0.008910 0.146954 0.044804 0.009220 -0.013523 -0.020536 0.123733 -0.046509 0.204855 0.002428 0.037608 0.065275 0.054584 -0.008407 -0.080233 -0.019253 0.028692 0.064778 0.024866 0.000855 0.031125 -0.016020 0.028058 -0.058242 0.266081 0.067234 -0.172024 0.012194 -0.000350 0.019282 -0.013259 0.183726 -0.024346 -0.031783 -0.000182 0.013019 -0.168565 -0.144832 -0.258841 -0.244283 -0.016695 -0.011207 0.167411 -0.065211 -0.276980 0.008384 -0.030243 0.034526 0.044908 0.004897 0.023786 -0.119392 0.019803 -0.450095 -0.039951 0.117547 -0.825890 -0.034521 0.008309 -0.254893 -0.016668 -0.114526 -0.523059 0.030498 -0.021667 0.006363 0.058031 -0.001866 -0.657987 -0.090964 0.003214 0.031752 0.038102 -0.008658 -0.094785 -0.014177 0.008367 -0.083489 -0.019538 0.277496 -0.041720 0.035853 -0.033025 -0.017758 0.003427 -0.055255 0.015414 0.040875 -0.031436 0.019035 -0.202606 0.072536 -0.141880 -0.055197 -0.062111 -0.030521 -0.055164 0.057517 -0.020135 0.053657 -0.025265 -0.398889 0.016891 0.014148 -0.036871 0.025549 -0.023503 -0.086789 -0.487212 0.268453 0.487573 -0.008546 0.077956 -0.005380 0.350473 -0.238825 0.241935 -0.010063 -0.006938 0.011210 0.133952 -0.296071 -0.273149 0.027346 -0.037957 -0.058616 -0.026562 -0.176346 0.013041 0.026019 0.365411 -0.148595 -0.001329 0.075321 0.032934 0.003995 0.070291 -0.020975 0.504747 0.016176 0.715113 0.016558 -0.004636 0.084579 -0.219306 0.198587 1.214455 0.000516 -0.000481 -0.039324 -0.199664 -0.312867 0.081255 -0.033726 0.047966 0.009137 0.028975 -0.070043 0.090618 0.003916 0.109612 0.537159 0.030409 0.000852 0.007143 -0.082535 0.051248 -0.050251 -0.064048 -0.324899 -0.353702 0.011292 -0.077649 0.033451 -0.004111 0.237547 -0.131945 -0.178010 -0.006299 0.006415 0.268515 0.298119 0.179886 -0.024288 0.086481 -0.047713 -0.087406 -0.046492 1.151267 -0.064721 -0.225753 0.021483 -0.033023 -0.055097 0.014021 -0.073679 -0.060219 -0.000344 0.017252 -0.019981 -0.256591 0.008571 -0.005739 0.024449 -0.032569 -0.220029 0.831724 0.096961 -0.022880 0.003396 -0.268750 0.307854 0.160361 0.035252 -0.086652 0.002613 0.428033 -0.044667 -0.078175 0.064379 -0.092544 0.311620 -0.000280 0.004522 0.039922 0.033423 -0.039438 -0.039011 0.188507 0.092082 1.182130 -0.121465 -0.057094 0.200720 0.033481 -0.090397 0.174571 -0.016603 0.061511 -0.389608 0.011631 -0.040810 -0.582865 0.000699 0.203344 0.032708 0.008978 -0.020712 -0.020274 0.123257 -0.045938 0.203413 0.000507 0.044657 0.071468 0.076381 -0.010152 -0.103052 -0.007827 0.021018 0.117337 0.054423 -0.026096 0.013410 0.021827 -0.010209 -0.071229 0.267461 0.067617 -0.172950 0.040345 0.026872 0.021984 -0.013688 0.183046 -0.026481 -0.032822 0.003206 0.019111 -0.163995 -0.139396 -0.277648 -0.374717 0.004846 -0.000420 0.167367 -0.066964 -0.277458 0.004944 -0.035113 0.038435 0.049058 0.008435 0.036765 -0.120919 0.019057 -0.455369 -0.039236 0.117369 -0.828062 -0.033935 0.010632 -0.249448 -0.016141 -0.114987 -0.518421 0.028019 -0.061579 -0.004578 0.057609 -0.002722 -0.657398 -0.139466 -0.008304 0.021216 0.036957 0.016842 -0.104977 0.002175 0.002907 -0.064756 0.000450 0.351955 -0.001373 0.057081 -0.024862 0.045999 0.006305 -0.057620 0.024708 0.106956 -0.053184 0.011998 -0.204106 0.068141 -0.149468 -0.088432 -0.094840 -0.051671 -0.090318 0.088412 -0.022308 0.079577 -0.014294 -0.412207 -0.012826 0.011518 -0.059215 0.021399 -0.054787 -0.101708 -0.486446 0.260505 0.495838 -0.018836 0.117395 0.088361 0.351601 -0.234800 0.246054 -0.010513 -0.005212 0.010574 0.131816 -0.295126 -0.272369 0.033417 -0.024693 -0.065345 0.016619 -0.242031 -0.021963 0.024975 0.367201 -0.146536 -0.003900 0.061700 0.029265 -0.034484 0.068967 -0.021388 0.505231 0.016921 0.706007 0.029282 -0.016025 0.049904 -0.220648 0.197768 1.217437 -0.010517 0.001664 -0.042940 -0.197985 -0.313707 0.081455 -0.045198 0.022707 0.008405 -0.021545 -0.064133 0.080633 0.005598 0.107475 0.538004 0.030229 -0.003216 0.009412 -0.045044 0.111899 -0.065704 -0.067212 -0.310987 -0.380149 0.008527 -0.106205 0.053123 0.007978 0.231571 -0.139993 -0.241424 -0.013263 0.012259 0.268960 0.297160 0.180083 -0.009452 0.072466 0.047593 -0.257819 -0.152249 -0.332496 -0.062636 -0.226744 0.021619 0.007509 -0.041907 0.010802 -0.105495 -0.036797 -0.003665 0.016244 -0.021806 -0.243560 0.023948 0.003289 -0.000814 -0.046114 -0.219746 0.821619 0.132446 -0.031748 0.065353 -0.269224 0.308551 0.160643 0.029438 -0.059777 -0.006420 0.482078 -0.046895 -0.092398 0.061852 -0.089672 0.310720 -0.033430 0.011596 0.030435 0.051273 -0.075504 -0.052888 0.177231 0.090356 1.113236 -0.121564 -0.056928 0.202006 0.033439 -0.091846 0.175952 -0.016250 0.061715 -0.385420 0.008950 -0.041220 -0.582560 0.002484 0.196731 0.023394 0.005772 -0.017405 -0.006502 0.122825 -0.045482 0.204007 -0.002064 0.039056 0.064723 0.072320 -0.009816 -0.100443 -0.000362 0.010208 0.124391 0.060470 -0.034983 0.008447 0.031285 -0.017962 -0.069038 0.266201 0.068921 -0.177060 0.043743 0.033104 0.026451 -0.013749 0.185195 -0.025712 -0.026427 0.002087 0.019260 -0.160532 -0.137095 -0.294419 -0.364124 0.017931 0.004451 0.166483 -0.069436 -0.277878 0.004705 -0.036472 0.038705 0.043698 0.009095 0.040995 -0.119386 0.018845 -0.459004 -0.039611 0.117123 -0.828803 -0.032387 0.010923 -0.244793 -0.016313 -0.116025 -0.518446 0.023399 -0.073603 -0.008919 0.057196 -0.003038 -0.659815 -0.141329 -0.013079 0.015862 0.032841 0.021681 -0.100738 0.017891 0.001171 -0.056117 0.002577 0.327398 0.019344 0.062822 -0.019761 0.067271 0.007152 -0.049410 0.025894 0.122597 -0.054968 0.009659 -0.204236 0.065547 -0.152656 -0.093328 -0.094954 -0.052717 -0.090181 0.083796 -0.016902 0.073799 -0.006266 -0.372478 -0.017791 0.009301 -0.064349 0.017490 -0.056487 -0.094711 -0.485947 0.259391 0.498509 -0.019472 0.110737 0.119886 0.353834 -0.238377 0.249309 -0.008179 -0.003964 0.013265 0.132975 -0.294298 -0.271505 0.037699 -0.009500 -0.061816 0.031650 -0.218752 -0.033837 0.024491 0.366276 -0.150364 -0.010924 0.049219 0.026838 -0.045478 0.066714 -0.018496 0.505041 0.016069 0.704694 0.027399 -0.020884 0.030927 -0.223692 0.197624 1.219232 -0.014978 0.002741 -0.041938 -0.199513 -0.314871 0.081903 -0.050258 0.006783 0.009454 -0.052422 -0.049214 0.074739 0.004954 0.108698 0.539438 0.038941 -0.006303 0.003652 -0.032535 0.113426 -0.068272 -0.068988 -0.306855 -0.394784 0.005286 -0.096368 0.047945 0.012115 0.233590 -0.145434 -0.225453 -0.015174 0.016036 0.269030 0.296236 0.180833 -0.008372 0.057259 0.055619 -0.233194 -0.154923 -0.316701 -0.060878 -0.225673 0.022074 0.030446 -0.028101 0.005926 -0.098291 -0.031161 -0.004560 0.015734 -0.022376 -0.236485 0.021845 0.004037 -0.008401 -0.050603 -0.219883 0.817808 0.137632 -0.034780 0.072908 -0.269663 0.309605 0.160842 0.027148 -0.042094 -0.010195 0.428276 -0.038768 -0.095651 0.059566 -0.090309 0.310294 -0.052090 0.014349 0.018841 0.049130 -0.074071 -0.057104 0.133812 0.079593 0.892688 -0.121347 -0.055237 0.204935 0.033898 -0.090589 0.176417 -0.015703 0.063990 -0.373241 0.003241 -0.043985 -0.577999 0.010968 0.169320 0.001864 -0.003066 -0.013206 0.035287 0.122090 -0.043934 0.202090 -0.005989 0.016579 0.034824 0.066571 -0.008830 -0.088526 0.015098 -0.009431 0.138198 0.077488 -0.058083 -0.014097 0.062143 -0.042740 -0.057107 0.268396 0.067737 -0.185403 0.054792 0.054528 0.033249 -0.013839 0.183066 -0.029298 0.001278 0.004191 0.019615 -0.151216 -0.130065 -0.337337 -0.332967 0.057612 0.020190 0.166445 -0.071599 -0.273606 0.004627 -0.041138 0.044759 0.026912 0.011861 0.051746 -0.121514 0.017616 -0.470405 -0.038642 0.116784 -0.832197 -0.027037 0.011107 -0.236357 -0.015300 -0.117169 -0.511534 0.008432 -0.111003 -0.023783 0.056459 -0.005032 -0.657330 -0.147201 -0.025561 -0.000669 0.028278 0.038112 -0.083420 0.062592 -0.002967 -0.033696 0.013193 0.254490 0.083043 0.081221 -0.005900 0.134498 0.009859 -0.022110 0.035322 0.175095 -0.061897 0.000987 -0.206773 0.058496 -0.161400 -0.105270 -0.095514 -0.059450 -0.089354 0.071639 -0.002543 0.063946 0.008372 -0.254900 -0.034128 0.001502 -0.078962 0.003350 -0.062799 -0.072676 -0.482488 0.255889 0.505783 -0.027973 0.093266 0.210078 0.359231 -0.230472 0.257091 -0.001582 -0.000101 0.019497 0.130614 -0.290894 -0.269283 0.047137 0.015321 -0.050333 0.080284 -0.143352 -0.068722 0.022310 0.370317 -0.145473 -0.008634 0.019144 0.014817 -0.083134 0.065782 -0.009160 0.505289 0.014808 0.689001 0.023043 -0.043424 -0.033265 -0.230888 0.195576 1.224677 -0.028983 0.005627 -0.038420 -0.196940 -0.315044 0.081858 -0.068321 -0.044525 0.009300 -0.145902 -0.005822 0.041065 0.008587 0.106372 0.540835 0.036962 -0.017655 -0.012219 0.011558 0.112513 -0.077507 -0.072422 -0.292406 -0.443037 -0.006380 -0.071687 0.033960 0.026543 0.222978 -0.161302 -0.186194 -0.021929 0.026483 0.269479 0.292515 0.182243 0.004977 0.027554 0.108454 -0.164901 -0.144141 -0.255754 -0.057940 -0.228001 0.022709 0.103520 -0.006071 -0.005413 -0.085298 -0.010696 -0.003422 0.015176 -0.025267 -0.210746 0.021519 0.008591 -0.040098 -0.064781 -0.218916 0.796758 0.132787 -0.040156 0.106963 -0.269170 0.309004 0.161946 0.018106 0.015069 -0.028442 0.244201 -0.013824 -0.097635 0.056787 -0.086916 0.309022 -0.104082 0.027024 -0.014587 0.047065 -0.073861 -0.071496 -0.008774 0.028285 0.341568 -0.120574 -0.052447 0.210414 0.034177 -0.091259 0.179009 -0.012928 0.067356 -0.352109 -0.007830 -0.049192 -0.572215 0.023410 0.132789 -0.041245 -0.019458 0.000092 0.123227 0.121887 -0.040900 0.197969 -0.007432 -0.018017 -0.013132 0.045826 -0.002233 -0.068054 0.046424 -0.052605 0.168369 0.110216 -0.103159 -0.061648 0.117327 -0.094952 -0.016741 0.270651 0.068879 -0.207630 0.071428 0.094392 0.048400 -0.014028 0.182853 -0.034954 0.054971 0.006048 0.019611 -0.131331 -0.119963 -0.452325 -0.278771 0.140830 0.057066 0.166503 -0.079844 -0.272571 0.003540 -0.049781 0.051054 -0.008915 0.016048 0.070364 -0.120588 0.016237 -0.494741 -0.038201 0.114793 -0.838085 -0.014766 0.012254 -0.221210 -0.014502 -0.119076 -0.502298 -0.016919 -0.193823 -0.050249 0.054985 -0.008262 -0.658872 -0.155377 -0.044969 -0.030391 0.014790 0.062681 -0.045884 0.134028 -0.015315 0.014440 0.034069 0.130202 0.211074 0.118275 0.018904 0.282915 0.011836 0.031965 0.050674 0.287600 -0.071974 -0.011042 -0.210794 0.045315 -0.182371 -0.127412 -0.092871 -0.069826 -0.085309 0.045769 0.031880 0.037941 0.044650 0.021433 -0.064089 -0.013336 -0.108724 -0.029083 -0.080354 -0.023520 -0.476190 0.248877 0.518384 -0.045318 0.045514 0.367472 0.371465 -0.222400 0.273517 0.008502 0.010720 0.029071 0.129971 -0.285260 -0.265372 0.069119 0.083540 -0.032695 0.168154 0.000864 -0.132930 0.019613 0.374856 -0.144109 -0.013202 -0.034390 -0.005706 -0.163881 0.064136 0.016755 0.505533 0.011764 0.665007 0.012142 -0.089947 -0.145820 -0.246351 0.191668 1.236473 -0.055509 0.012486 -0.043717 -0.195771 -0.314293 0.082146 -0.097729 -0.151285 0.000527 -0.344810 0.061558 -0.011689 0.012487 0.104887 0.542946 0.044489 -0.039392 -0.043972 0.124178 0.130674 -0.096909 -0.079260 -0.263210 -0.539443 -0.025023 -0.024259 -0.013560 0.054824 0.207986 -0.193472 -0.116652 -0.030669 0.041539 0.270261 0.286371 0.184284 0.024488 -0.056170 0.208515 0.022246 -0.130030 -0.014443 -0.050914 -0.230853 0.023822 0.245485 0.050205 -0.034656 -0.065745 0.030624 -0.004753 0.014175 -0.029968 -0.160086 0.011630 0.022195 -0.101635 -0.093675 -0.217231 0.760227 0.124927 -0.046018 0.156262 -0.268692 0.307884 0.163377 0.009904 0.122527 -0.070507 -0.077835 0.043952 -0.097840 0.050158 -0.083676 0.306843 -0.206264 0.054713 -0.073365 0.056268 -0.084960 -0.100117 0.048261 0.050155 0.540813 -0.120855 -0.053428 0.208112 0.033913 -0.091000 0.177867 -0.013718 0.066357 -0.359079 -0.004206 -0.047214 -0.574178 0.020630 0.143026 -0.025341 -0.013876 -0.003791 0.092809 0.121618 -0.041836 0.198870 -0.005648 -0.005256 0.004181 0.055164 -0.003408 -0.076848 0.034551 -0.037892 0.159573 0.098717 -0.086591 -0.043589 0.099997 -0.077384 -0.032606 0.270006 0.068191 -0.200213 0.065194 0.081289 0.042765 -0.014076 0.182791 -0.033083 0.037222 0.005112 0.019200 -0.138055 -0.122599 -0.409862 -0.297510 0.111278 0.043243 0.166021 -0.076529 -0.272792 0.004007 -0.046811 0.048708 0.003690 0.014960 0.063691 -0.120940 0.016745 -0.486903 -0.038312 0.115501 -0.837208 -0.019240 0.011919 -0.226461 -0.014721 -0.118502 -0.504658 -0.008082 -0.164967 -0.040923 0.055091 -0.007083 -0.658355 -0.153199 -0.038665 -0.020364 0.019926 0.056502 -0.059956 0.111831 -0.011205 -0.000262 0.026101 0.169014 0.167246 0.106767 0.011557 0.230333 0.010178 0.012800 0.045823 0.247042 -0.067869 -0.005852 -0.209541 0.049657 -0.175572 -0.120254 -0.094443 -0.066765 -0.087451 0.055372 0.019801 0.045333 0.032025 -0.071359 -0.053407 -0.007641 -0.099670 -0.018268 -0.073822 -0.041809 -0.478353 0.252368 0.514545 -0.039554 0.062530 0.308401 0.366438 -0.224646 0.266407 0.004292 0.006210 0.026385 0.132063 -0.287358 -0.267079 0.061818 0.057433 -0.039946 0.131847 -0.052690 -0.106131 0.021995 0.373088 -0.144109 -0.010545 -0.014418 0.003018 -0.132148 0.067493 0.009413 0.505097 0.012785 0.672241 0.016020 -0.074273 -0.101511 -0.240839 0.193713 1.233100 -0.046170 0.008733 -0.044969 -0.198291 -0.312674 0.081770 -0.087174 -0.107936 0.001149 -0.272533 0.037130 0.004769 0.009607 0.106367 0.541905 0.043173 -0.030609 -0.031902 0.076649 0.127034 -0.090363 -0.076852 -0.274854 -0.504336 -0.017447 -0.042498 0.002844 0.043174 0.212768 -0.182768 -0.143507 -0.026950 0.035995 0.270396 0.288827 0.184272 0.018603 -0.027398 0.163541 -0.044651 -0.139101 -0.102211 -0.053590 -0.229148 0.023054 0.189308 0.029399 -0.026772 -0.071543 0.013102 -0.003103 0.014354 -0.028171 -0.179690 0.015701 0.015991 -0.073712 -0.082081 -0.217975 0.772433 0.129379 -0.042013 0.139902 -0.269403 0.306577 0.162389 0.013415 0.079223 -0.057045 0.034181 0.024576 -0.099950 0.052513 -0.085352 0.307247 -0.165481 0.045532 -0.050220 0.050236 -0.079131 -0.088290 -0.108532 -0.029163 -0.218596 -0.120706 -0.053885 0.205649 0.034446 -0.091665 0.175731 -0.020380 0.069418 -0.361885 -0.006204 -0.050119 -0.577392 0.007197 0.070355 -0.023822 -0.013802 -0.007176 0.084587 0.121983 -0.042101 0.202145 -0.008922 -0.012163 -0.008851 0.020987 0.000334 -0.046677 0.029858 -0.023179 0.108038 0.054397 -0.059875 -0.030808 0.079878 -0.017814 -0.014010 0.267742 0.067700 -0.198150 0.039554 0.050894 0.031189 -0.013361 0.183726 -0.031204 0.026198 0.002538 0.010504 -0.139248 -0.124632 -0.406692 -0.158484 0.083044 0.040346 0.167065 -0.076478 -0.272568 0.009769 -0.040950 0.047685 -0.001192 0.009587 0.046074 -0.120886 0.016678 -0.485482 -0.038421 0.115682 -0.835398 -0.016020 0.006381 -0.227232 -0.014684 -0.118530 -0.507381 -0.019168 -0.119695 -0.036250 0.055075 -0.007137 -0.658535 -0.116021 -0.023691 -0.014718 0.017781 0.039814 -0.030942 0.059412 -0.008400 -0.002351 0.026312 0.082028 0.131459 0.078561 0.012592 0.166533 0.009698 0.016004 0.032051 0.167204 -0.038396 -0.014847 -0.206973 0.050843 -0.173540 -0.072632 -0.060110 -0.048417 -0.053817 0.024961 0.008475 0.027833 0.014094 0.002136 -0.029253 -0.003789 -0.061238 -0.012400 -0.036609 -0.021451 -0.477791 0.259203 0.506296 -0.028928 0.027202 0.242262 0.365866 -0.225194 0.268736 0.004873 0.004860 0.028957 0.130367 -0.288674 -0.266505 0.059979 0.033851 -0.019021 0.109991 -0.029089 -0.082900 0.021420 0.373296 -0.146672 -0.011190 -0.009841 0.001318 -0.085660 0.055045 0.009610 0.506098 0.011244 0.680962 0.003386 -0.057501 -0.092408 -0.241616 0.193215 1.233423 -0.041044 0.000518 -0.027812 -0.196028 -0.315258 0.081900 -0.072062 -0.084128 0.007318 -0.200174 0.046680 0.007116 0.010304 0.106306 0.542084 0.036044 -0.027218 -0.032226 0.040663 0.063452 -0.077584 -0.074447 -0.282278 -0.494043 -0.019027 -0.007042 0.007776 0.037857 0.215303 -0.184048 -0.073641 -0.016850 0.023362 0.270063 0.289941 0.184960 0.016803 -0.020075 0.089233 0.114602 -0.034772 0.647058 -0.055164 -0.229830 0.023603 0.160209 0.018042 -0.021777 -0.052738 0.007988 -0.000276 0.015551 -0.028137 -0.186072 0.009989 0.007952 -0.055534 -0.074423 -0.217604 0.771163 0.082039 -0.027365 0.105593 -0.268680 0.308724 0.163318 0.014337 0.066424 -0.031418 -0.007123 0.034438 -0.080292 0.054766 -0.086021 0.307761 -0.132743 0.036441 -0.045570 0.037423 -0.044370 -0.073817 -0.197493 -0.076746 -0.651691 -0.120462 -0.054072 0.203882 0.034738 -0.091837 0.174184 -0.024341 0.071330 -0.363675 -0.007245 -0.051687 -0.579629 -0.001793 0.025548 -0.023285 -0.014159 -0.011546 0.080817 0.121799 -0.042147 0.203008 -0.010989 -0.015959 -0.018862 0.003215 0.002380 -0.029411 0.025808 -0.015320 0.077649 0.026872 -0.043315 -0.025101 0.067063 0.020523 -0.001165 0.266645 0.066488 -0.196544 0.024486 0.032748 0.025379 -0.013197 0.183279 -0.030346 0.020535 0.001027 0.005130 -0.140631 -0.125699 -0.404352 -0.071526 0.064909 0.037656 0.168193 -0.075343 -0.272154 0.013354 -0.037194 0.046923 -0.004664 0.006618 0.035132 -0.121142 0.016645 -0.484334 -0.038527 0.116285 -0.835072 -0.014171 0.003308 -0.228401 -0.014707 -0.118798 -0.510031 -0.025991 -0.092492 -0.032690 0.055038 -0.007065 -0.656603 -0.093014 -0.014034 -0.010596 0.016645 0.030250 -0.012696 0.028055 -0.006113 -0.002663 0.025933 0.026111 0.107663 0.060339 0.012850 0.125937 0.009342 0.018456 0.024656 0.113360 -0.018663 -0.019586 -0.205480 0.051900 -0.172516 -0.043993 -0.038670 -0.037464 -0.033724 0.008212 0.001818 0.017753 0.002407 0.046696 -0.014538 -0.002269 -0.039866 -0.009733 -0.014822 -0.009063 -0.476957 0.263338 0.498524 -0.023042 0.004215 0.197229 0.365095 -0.223938 0.269623 0.004805 0.004013 0.031211 0.130265 -0.287701 -0.266295 0.058623 0.017842 -0.004608 0.094717 -0.014907 -0.066111 0.022318 0.373535 -0.147172 -0.009278 -0.005268 0.000405 -0.054347 0.049170 0.009251 0.505921 0.010336 0.682556 -0.001475 -0.045892 -0.087619 -0.241985 0.193365 1.233805 -0.036881 -0.004696 -0.016551 -0.195618 -0.313005 0.081681 -0.061630 -0.066739 0.009550 -0.155796 0.048412 0.006150 0.009326 0.106404 0.542435 0.030899 -0.026125 -0.031405 0.015979 0.025224 -0.068055 -0.072428 -0.286787 -0.487698 -0.018528 0.014440 0.010779 0.034337 0.215567 -0.184927 -0.032791 -0.010197 0.016945 0.271307 0.289022 0.185162 0.015307 -0.014197 0.043508 0.206043 0.029457 1.076163 -0.056296 -0.229586 0.023709 0.137503 0.010719 -0.018582 -0.039791 0.002179 0.002812 0.015887 -0.027825 -0.190376 0.006043 0.002282 -0.040252 -0.069655 -0.217610 0.770506 0.055256 -0.018087 0.086986 -0.269773 0.306156 0.163648 0.016374 0.056503 -0.015982 -0.031804 0.038595 -0.068690 0.056257 -0.086223 0.307778 -0.109949 0.030319 -0.044541 0.028107 -0.019790 -0.060288 -0.139735 -0.052638 -0.365706 -0.120223 -0.054266 0.202004 0.035099 -0.092085 0.172650 -0.027890 0.073026 -0.366467 -0.007918 -0.052879 -0.582566 -0.009479 -0.013807 -0.022173 -0.014307 -0.014775 0.074904 0.121935 -0.042218 0.204557 -0.012968 -0.018647 -0.023448 -0.011834 0.004703 -0.015135 0.022185 -0.009349 0.050419 0.002486 -0.025744 -0.015860 0.054290 0.055517 0.019457 0.265267 0.066561 -0.195375 0.010099 0.014198 0.018053 -0.012609 0.183947 -0.029474 0.013625 -0.000499 -0.000122 -0.141248 -0.126803 -0.403605 0.016015 0.045921 0.041635 0.168840 -0.075360 -0.273076 0.016896 -0.033519 0.045426 -0.006215 0.003854 0.024277 -0.120924 0.016818 -0.483257 -0.038466 0.116597 -0.834648 -0.012560 0.000294 -0.229329 -0.014592 -0.118857 -0.511904 -0.031917 -0.064825 -0.029437 0.055184 -0.006859 -0.658031 -0.069427 -0.005172 -0.006783 0.015325 0.021413 0.001934 -0.003233 -0.003700 -0.001882 0.026557 -0.025604 0.088175 0.041113 0.011162 0.084323 0.008537 0.018327 0.015470 0.066846 -0.001188 -0.023678 -0.203608 0.053211 -0.172465 -0.016911 -0.020998 -0.026776 -0.015949 -0.005554 -0.004884 0.008271 -0.006505 0.081633 -0.001513 -0.000534 -0.019368 -0.006290 0.002517 0.001264 -0.476170 0.267393 0.492219 -0.020105 -0.009837 0.150967 0.364242 -0.223745 0.270293 0.003004 0.002906 0.031002 0.130011 -0.288420 -0.266294 0.055418 0.005942 0.006341 0.079375 -0.000530 -0.048785 0.022128 0.373003 -0.148637 -0.010456 0.000103 0.001053 -0.022155 0.044029 0.006976 0.506142 0.009692 0.689312 -0.005758 -0.031489 -0.078796 -0.242001 0.193374 1.234320 -0.032756 -0.010418 -0.007486 -0.194930 -0.314222 0.081454 -0.048735 -0.048850 0.010530 -0.110650 0.047514 0.004924 0.009528 0.107294 0.542261 0.027961 -0.023142 -0.028464 -0.004227 -0.006225 -0.055933 -0.070508 -0.291106 -0.480103 -0.018575 0.028403 0.016163 0.030932 0.216858 -0.185420 0.003336 -0.004203 0.010651 0.270299 0.290028 0.185349 0.013279 -0.008673 0.003626 0.128501 0.013965 0.769817 -0.057552 -0.228878 0.023802 0.112549 0.004459 -0.013192 -0.028310 -0.004659 0.003868 0.016621 -0.027523 -0.195664 0.002766 -0.003168 -0.024089 -0.064957 -0.217308 0.769597 0.032815 -0.009727 0.070236 -0.268395 0.307412 0.163808 0.017107 0.043355 -0.000308 -0.047530 0.041530 -0.057161 0.058153 -0.087079 0.307861 -0.089104 0.022400 -0.038768 0.019956 0.003863 -0.048057 0.050568 0.036059 0.580881 -0.120082 -0.055647 0.196274 0.035305 -0.093573 0.168517 -0.038654 0.077523 -0.375256 -0.010685 -0.056613 -0.590826 -0.034708 -0.125139 -0.016260 -0.013981 -0.024885 0.054988 0.121353 -0.043103 0.208533 -0.018993 -0.024816 -0.042234 -0.053976 0.009364 0.022555 0.008855 0.011569 -0.028153 -0.070514 0.023010 0.007795 0.016653 0.161446 0.086740 0.260642 0.066116 -0.192348 -0.032641 -0.038159 -0.003172 -0.011910 0.185348 -0.026877 -0.008283 -0.005217 -0.015686 -0.143852 -0.131031 -0.401908 0.278636 -0.008760 0.053031 0.169885 -0.075485 -0.275760 0.026606 -0.022927 0.040858 -0.011851 -0.004317 -0.007959 -0.120593 0.017307 -0.480968 -0.039043 0.117012 -0.834598 -0.008330 -0.008759 -0.232424 -0.014963 -0.119279 -0.516346 -0.051841 0.014635 -0.018875 0.054004 -0.006302 -0.661087 0.003031 0.023920 0.005239 0.010771 -0.005194 0.045706 -0.099179 0.002866 -0.000349 0.025844 -0.180450 0.032173 -0.011666 0.014228 -0.036964 0.006077 0.020270 -0.010729 -0.064557 0.051742 -0.037600 -0.198705 0.056939 -0.172574 0.065106 0.037333 0.008478 0.039351 -0.049098 -0.021624 -0.018585 -0.038085 0.185015 0.039020 0.005965 0.043374 0.001160 0.057581 0.031284 -0.473146 0.280614 0.474090 0.000614 -0.057692 0.004021 0.360305 -0.223204 0.272081 -0.000019 -0.002009 0.029522 0.130343 -0.291257 -0.266268 0.046187 -0.035017 0.040418 0.025396 0.037718 0.003951 0.023197 0.373138 -0.151816 -0.015047 0.017400 -0.001920 0.070599 0.028821 0.003806 0.504632 0.007616 0.708379 -0.020515 0.006330 -0.046000 -0.242787 0.192815 1.238109 -0.019273 -0.025633 0.023907 -0.195340 -0.316126 0.080510 -0.012823 0.008324 0.017976 0.020259 0.047754 0.002200 0.007091 0.110540 0.541741 0.017849 -0.011607 -0.021886 -0.063222 -0.102712 -0.027989 -0.065669 -0.305796 -0.455248 -0.016518 0.075984 0.028032 0.018424 0.219861 -0.187540 0.112716 0.011023 -0.010338 0.269971 0.292969 0.186800 0.004972 0.009387 -0.118464 -0.115053 -0.049953 -0.225899 -0.062029 -0.229236 0.024125 0.037854 -0.026601 -0.001714 0.007837 -0.020559 0.007147 0.017817 -0.027587 -0.212286 -0.008718 -0.018391 0.021155 -0.049967 -0.216391 0.767960 -0.037652 0.016050 0.023066 -0.268509 0.308799 0.164231 0.020409 0.004084 0.040957 -0.102187 0.052889 -0.015993 0.062834 -0.090876 0.308492 -0.009525 0.004686 -0.024959 0.003420 0.070453 -0.015220 -0.011870 0.005402 0.270111 -0.120290 -0.055096 0.198330 0.035226 -0.093028 0.169714 -0.034788 0.075959 -0.372891 -0.009901 -0.055311 -0.589056 -0.028164 -0.087551 -0.018751 -0.014152 -0.021884 0.064315 0.121548 -0.042830 0.207400 -0.017264 -0.022772 -0.036094 -0.039537 0.007323 0.009942 0.013086 0.004397 -0.004462 -0.047970 0.007548 0.001079 0.029005 0.128958 0.064640 0.262160 0.066650 -0.193437 -0.019511 -0.021439 0.003888 -0.012020 0.184832 -0.028005 -0.001386 -0.004113 -0.010537 -0.143302 -0.129564 -0.402131 0.197036 0.007753 0.050074 0.169667 -0.075860 -0.274889 0.023415 -0.026451 0.042493 -0.010402 -0.001889 0.002921 -0.120820 0.017081 -0.481601 -0.038979 0.116919 -0.834024 -0.009940 -0.005562 -0.232064 -0.015017 -0.119177 -0.514835 -0.045338 -0.010658 -0.021502 0.054410 -0.006582 -0.662093 -0.021984 0.014671 0.001943 0.012258 0.003811 0.033041 -0.068001 0.001323 -0.000251 0.025718 -0.131573 0.049911 0.004785 0.012622 0.000628 0.006832 0.019725 -0.003689 -0.023818 0.034421 -0.033064 -0.200489 0.055729 -0.172723 0.039756 0.019611 -0.001985 0.022324 -0.035317 -0.017328 -0.010588 -0.028232 0.152143 0.026394 0.003989 0.025079 -0.000504 0.039927 0.021947 -0.474081 0.275239 0.479019 -0.007689 -0.040648 0.050777 0.361480 -0.222589 0.272552 0.001156 -0.000566 0.029067 0.128194 -0.290475 -0.266069 0.050628 -0.021057 0.028135 0.044473 0.027493 -0.009891 0.021765 0.373246 -0.149412 -0.014086 0.012232 -0.002159 0.038875 0.030899 0.004696 0.504610 0.008284 0.703590 -0.015843 -0.007532 -0.056820 -0.242600 0.192554 1.235613 -0.023035 -0.020514 0.011047 -0.193447 -0.317497 0.080804 -0.025892 -0.010621 0.016977 -0.023402 0.048409 0.002111 0.008940 0.108771 0.542374 0.021726 -0.015510 -0.024432 -0.041972 -0.073687 -0.037293 -0.067232 -0.300127 -0.464278 -0.016833 0.059671 0.024261 0.023218 0.218413 -0.186238 0.077106 0.007074 -0.002996 0.268523 0.292127 0.185889 0.009450 0.003605 -0.076771 -0.034660 -0.029349 0.100581 -0.060549 -0.229168 0.024120 0.062385 -0.017034 -0.007517 -0.004725 -0.014354 0.007080 0.017462 -0.027312 -0.206117 -0.004058 -0.012893 0.005725 -0.055917 -0.216367 0.767465 -0.014628 0.008906 0.039470 -0.267193 0.310529 0.164265 0.018210 0.017255 0.025647 -0.082641 0.049145 -0.026899 0.061114 -0.088938 0.308380 -0.035542 0.011033 -0.031414 0.009129 0.047588 -0.025525 -0.014804 0.002424 0.249222 -0.120261 -0.055238 0.198032 0.035617 -0.092511 0.169416 -0.035894 0.075953 -0.373837 -0.008971 -0.055178 -0.589928 -0.028005 -0.077525 -0.018463 -0.010071 -0.021144 0.048299 0.121370 -0.043221 0.207343 -0.016445 -0.016829 -0.030174 -0.032804 0.007086 0.009649 0.010122 0.005417 -0.003196 -0.045206 0.009326 0.001373 0.026873 0.115906 0.068109 0.262834 0.065757 -0.192223 -0.019080 -0.022243 0.000715 -0.012021 0.182850 -0.028548 -0.004299 -0.004318 -0.009988 -0.144908 -0.129513 -0.403190 0.172285 0.003312 0.047683 0.171370 -0.075137 -0.276105 0.024014 -0.026310 0.042023 -0.006777 -0.002485 0.001493 -0.121689 0.016982 -0.481076 -0.038960 0.117240 -0.834775 -0.010079 -0.006173 -0.234161 -0.015129 -0.119597 -0.516546 -0.041069 -0.006790 -0.020657 0.054541 -0.006504 -0.661602 -0.017443 0.016212 0.002211 0.010816 0.003845 0.030995 -0.069828 0.000880 0.001590 0.024272 -0.120982 0.044162 0.001071 0.010899 -0.003713 0.005566 0.015746 -0.003441 -0.025885 0.033088 -0.033269 -0.200267 0.056689 -0.173760 0.039166 0.018536 -0.000436 0.022246 -0.032821 -0.018250 -0.008270 -0.025492 0.133279 0.024439 0.004660 0.026822 0.001548 0.032092 0.021004 -0.472566 0.274696 0.478533 -0.006487 -0.038987 0.050143 0.361310 -0.218066 0.273496 0.001300 -0.000053 0.029322 0.130355 -0.290239 -0.266067 0.049018 -0.020923 0.030400 0.043708 0.025364 -0.010235 0.023852 0.373216 -0.144707 -0.014951 0.012986 -0.004453 0.039089 0.034417 0.005467 0.503421 0.008251 0.704951 -0.015999 -0.005787 -0.058110 -0.242503 0.192411 1.237985 -0.023700 -0.020671 0.010466 -0.195684 -0.315539 0.081402 -0.026667 -0.010632 0.017876 -0.020845 0.043997 0.004284 0.006794 0.108730 0.542889 0.023193 -0.015044 -0.023470 -0.044484 -0.071636 -0.037376 -0.066269 -0.299706 -0.462208 -0.015661 0.055465 0.026445 0.024013 0.214118 -0.186271 0.071144 0.006663 -0.003535 0.270909 0.291796 0.185780 0.008922 0.007037 -0.059832 -0.032373 -0.023977 0.128274 -0.060871 -0.228423 0.024475 0.059533 -0.017959 -0.007064 -0.009784 -0.015754 0.006893 0.016992 -0.027064 -0.206683 -0.004108 -0.014051 0.004187 -0.056897 -0.216514 0.768823 -0.010169 0.006768 0.041495 -0.269525 0.308207 0.164408 0.018208 0.017176 0.028280 -0.061733 0.045242 -0.026505 0.061541 -0.088970 0.307911 -0.033216 0.010309 -0.030316 0.011206 0.048257 -0.023431 -0.023441 -0.006206 0.192064 -0.119820 -0.055294 0.196617 0.035822 -0.093355 0.169490 -0.035734 0.075773 -0.379432 -0.006468 -0.054774 -0.593409 -0.028840 -0.045377 -0.020620 -0.009079 -0.020263 0.019232 0.121068 -0.043725 0.207151 -0.011940 -0.001068 -0.015761 -0.010648 0.006339 0.010526 -0.002287 0.006674 0.001783 -0.037736 0.015733 0.000231 0.019131 0.076884 0.080063 0.258262 0.066017 -0.187774 -0.019031 -0.024178 -0.007982 -0.012083 0.185105 -0.026773 -0.011700 -0.004003 -0.006287 -0.142223 -0.130901 -0.405619 0.100290 -0.011045 0.043098 0.168980 -0.075524 -0.278851 0.024400 -0.025414 0.039749 0.002802 -0.002236 -0.002199 -0.121070 0.017081 -0.477535 -0.038681 0.117352 -0.835120 -0.011108 -0.006566 -0.231204 -0.014910 -0.119177 -0.516743 -0.029649 0.002973 -0.017377 0.053991 -0.006071 -0.660858 -0.006648 0.020311 0.004199 0.008320 0.006343 0.029669 -0.073375 0.001595 0.006734 0.019580 -0.090115 0.023307 -0.005153 0.004878 -0.014542 0.002450 0.004920 -0.004271 -0.035673 0.029603 -0.033549 -0.197534 0.059306 -0.176075 0.037160 0.016192 0.001948 0.023094 -0.026105 -0.022243 0.001832 -0.018886 0.078375 0.017377 0.003704 0.031586 0.005320 0.012025 0.020485 -0.474188 0.273058 0.469487 0.001810 -0.016879 0.011647 0.359453 -0.224286 0.272262 0.000318 -0.003794 0.024513 0.127981 -0.289997 -0.266575 0.026359 -0.024545 0.031628 0.028799 0.020072 0.004068 0.023884 0.372138 -0.153799 -0.015683 0.018000 0.004650 0.043887 0.031586 0.003268 0.505674 0.008954 0.710192 -0.011775 0.005427 -0.037883 -0.240951 0.192617 1.240243 -0.013856 -0.018033 0.006020 -0.193257 -0.314449 0.081665 -0.012738 0.009303 0.013911 0.002056 0.021169 0.009433 0.006433 0.108513 0.542692 0.020849 -0.009882 -0.011505 -0.042689 -0.064182 -0.022726 -0.064611 -0.297155 -0.454764 -0.007479 0.031376 0.026434 0.026184 0.219410 -0.188802 0.044062 0.008798 -0.005530 0.270114 0.291733 0.185430 -0.000954 0.020027 -0.006155 -0.026351 -0.008544 0.177444 -0.062318 -0.228058 0.024098 0.022672 -0.026173 -0.001452 -0.013832 -0.022996 0.007847 0.017476 -0.027547 -0.213919 -0.004661 -0.011234 0.011585 -0.058897 -0.216756 0.765880 -0.000279 0.005967 0.034824 -0.268856 0.306887 0.164766 0.013976 -0.000045 0.030251 0.006347 0.027742 -0.017536 0.063223 -0.089258 0.309007 -0.006866 0.003800 -0.017820 0.013641 0.048711 -0.006868 -0.040239 -0.024579 0.078610 -0.119193 -0.055927 0.194745 0.036884 -0.093818 0.169249 -0.035382 0.074885 -0.391111 -0.001727 -0.053123 -0.601316 -0.035245 0.019821 -0.026878 -0.003594 -0.018291 -0.036349 0.120803 -0.045386 0.208175 -0.002562 0.025429 0.011848 0.031496 0.006902 0.008527 -0.022195 0.015293 0.013246 -0.024428 0.026609 0.003600 0.003951 -0.001594 0.105317 0.254047 0.067868 -0.182521 -0.018694 -0.028073 -0.024016 -0.011420 0.186034 -0.025519 -0.027606 -0.004126 0.000212 -0.141082 -0.132790 -0.413128 -0.034488 -0.039300 0.031733 0.168741 -0.077593 -0.286487 0.025434 -0.024458 0.035023 0.022103 -0.002761 -0.008884 -0.120217 0.017647 -0.472730 -0.038218 0.117334 -0.836494 -0.012734 -0.007349 -0.232020 -0.014831 -0.118967 -0.518740 -0.004938 0.022724 -0.009796 0.053457 -0.004877 -0.667926 0.015675 0.028378 0.009309 0.001975 0.010747 0.027200 -0.082587 0.003352 0.016453 0.012562 -0.031414 -0.014887 -0.018465 -0.008778 -0.038699 -0.004687 -0.016856 -0.008264 -0.052821 0.020706 -0.035587 -0.193505 0.064272 -0.182410 0.032569 0.012576 0.006957 0.026012 -0.012673 -0.029382 0.020995 -0.005756 -0.023167 0.003366 0.003909 0.042488 0.012527 -0.030063 0.019117 -0.471396 0.268919 0.455615 0.017194 0.022394 -0.053664 0.356129 -0.224118 0.272597 -0.002768 -0.010991 0.010955 0.128304 -0.293821 -0.267794 -0.008835 -0.026818 0.036158 -0.002512 0.012761 0.027321 0.026613 0.370631 -0.155736 -0.023560 0.030321 0.007496 0.054497 0.028666 0.002337 0.504550 0.010746 0.732036 -0.005748 0.023165 -0.000601 -0.238538 0.191259 1.247747 0.003876 -0.014046 -0.000777 -0.193562 -0.317216 0.082174 0.003835 0.038440 0.004305 0.041589 -0.019499 0.023762 0.003226 0.110826 0.542712 0.020919 0.000573 0.013431 -0.047134 -0.043966 0.006365 -0.060998 -0.291956 -0.440321 0.008865 -0.010883 0.026236 0.031834 0.218800 -0.191854 -0.004652 0.011442 -0.009053 0.269786 0.296052 0.183853 -0.016867 0.044375 0.092478 -0.009366 0.022007 0.259303 -0.064728 -0.226673 0.023764 -0.045676 -0.039296 0.010414 -0.027910 -0.037358 0.010909 0.017845 -0.028438 -0.226404 -0.003640 -0.007398 0.022674 -0.064205 -0.215739 0.763652 0.017024 0.006014 0.027815 -0.268492 0.309767 0.164605 0.005694 -0.030303 0.032809 0.139436 -0.013015 0.005338 0.066294 -0.091881 0.309362 0.042544 -0.010213 0.006775 0.018798 0.050537 0.025712 -0.045482 -0.030241 0.043909 -0.119082 -0.055767 0.193882 0.037082 -0.093675 0.168826 -0.035565 0.074956 -0.394370 0.000002 -0.052828 -0.604002 -0.035264 0.041021 -0.027610 0.001835 -0.020641 -0.055956 0.120700 -0.045548 0.207555 0.000303 0.032479 0.022065 0.043774 0.007183 0.007517 -0.026426 0.015744 0.012261 -0.020058 0.030196 0.003289 -0.000470 -0.024162 0.113119 0.252433 0.067573 -0.179946 -0.018120 -0.029218 -0.028823 -0.011429 0.185850 -0.025245 -0.031786 -0.003560 0.002507 -0.140752 -0.133330 -0.413929 -0.073844 -0.048267 0.028276 0.168572 -0.077216 -0.288091 0.025805 -0.023969 0.033896 0.027907 -0.003022 -0.010452 -0.120645 0.017708 -0.470906 -0.038041 0.117846 -0.836709 -0.013291 -0.007471 -0.232235 -0.014685 -0.118922 -0.519732 0.002027 0.027929 -0.007345 0.053462 -0.004671 -0.667126 0.022074 0.031078 0.010777 0.000265 0.012398 0.026289 -0.084749 0.004038 0.019607 0.010228 -0.012831 -0.025588 -0.022775 -0.013081 -0.046551 -0.007157 -0.023500 -0.008649 -0.057383 0.017753 -0.035803 -0.192231 0.066233 -0.183685 0.031568 0.011446 0.008581 0.026554 -0.008392 -0.030252 0.026197 -0.002524 -0.052820 -0.000835 0.003195 0.045563 0.015194 -0.041531 0.018440 -0.472081 0.268369 0.449891 0.018480 0.030119 -0.062996 0.355704 -0.223928 0.273478 -0.002934 -0.012832 0.012320 0.126352 -0.292618 -0.268289 -0.012353 -0.029300 0.037805 -0.006977 0.011203 0.029850 0.026570 0.370383 -0.156728 -0.022121 0.032855 0.008798 0.057092 0.029660 0.003836 0.505420 0.010762 0.732528 -0.006439 0.024438 0.001437 -0.238087 0.191097 1.247618 0.003674 -0.013851 -0.003741 -0.191673 -0.315532 0.082526 0.006534 0.041402 0.004401 0.045133 -0.030272 0.028258 0.003184 0.110242 0.543094 0.018389 0.001687 0.017715 -0.048552 -0.041938 0.010977 -0.060109 -0.290964 -0.438010 0.012830 -0.018770 0.028336 0.032622 0.218526 -0.192211 -0.013617 0.012047 -0.010113 0.269060 0.295110 0.183350 -0.019855 0.052642 0.117320 -0.005691 0.026832 0.302878 -0.065616 -0.226046 0.023543 -0.053843 -0.040365 0.012902 -0.032103 -0.040441 0.013156 0.018103 -0.027631 -0.228409 -0.003620 -0.006841 0.022742 -0.065003 -0.215590 0.762009 0.022039 0.006180 0.028508 -0.267820 0.308137 0.164534 0.002311 -0.035535 0.034288 0.170962 -0.018096 0.009032 0.067477 -0.091292 0.309463 0.048956 -0.010739 0.010634 0.021693 0.050632 0.032737 0.013426 0.006478 0.346411 -0.118987 -0.056170 0.194046 0.036970 -0.093649 0.169476 -0.034484 0.074843 -0.396516 0.001770 -0.052144 -0.604651 -0.019579 0.050413 -0.021068 0.003801 -0.012573 -0.052978 0.120150 -0.045737 0.207566 0.005475 0.026475 0.027365 0.036467 0.003741 0.011992 -0.024836 0.007332 0.012415 -0.009997 0.024288 0.004606 -0.007874 -0.037503 0.093494 0.251245 0.068013 -0.182054 -0.016220 -0.020576 -0.023523 -0.011597 0.185877 -0.025632 -0.018697 -0.003340 0.005177 -0.140063 -0.133286 -0.405650 -0.064116 -0.040975 0.027596 0.168144 -0.077363 -0.285186 0.024881 -0.025487 0.033769 0.020664 -0.003100 -0.005002 -0.120465 0.017776 -0.470543 -0.038166 0.118161 -0.837409 -0.014745 -0.006405 -0.231569 -0.014847 -0.119246 -0.521826 0.013209 0.029359 -0.004650 0.053252 -0.004432 -0.669261 0.028420 0.024235 0.009079 -0.002970 0.005186 0.021181 -0.059111 0.005531 0.018738 -0.000821 0.006620 -0.023311 -0.016549 -0.016807 -0.042224 -0.008122 -0.018538 -0.007096 -0.052922 0.006641 -0.026950 -0.192170 0.066870 -0.179427 0.023915 0.011181 0.010842 0.025048 -0.009598 -0.020554 0.017745 0.004801 -0.053037 0.000716 0.001447 0.033961 0.015456 -0.032435 0.016098 -0.470494 0.269347 0.452453 0.022525 0.034396 -0.051504 0.355827 -0.222478 0.274266 -0.002178 -0.011022 0.003776 0.126421 -0.292849 -0.267811 -0.023258 -0.029746 0.030213 -0.013297 0.011079 0.033747 0.027341 0.370388 -0.155414 -0.025898 0.030645 0.006130 0.046715 0.035720 0.002145 0.503805 0.011134 0.738431 -0.004806 0.023031 0.010853 -0.238754 0.190990 1.251316 0.008147 -0.005322 -0.011277 -0.192121 -0.315264 0.083603 0.007747 0.045384 -0.003864 0.038004 -0.034671 0.020682 0.001604 0.110186 0.544396 0.019743 0.007143 0.022995 -0.035565 -0.024135 0.018103 -0.059039 -0.290944 -0.434444 0.017718 -0.029917 0.021922 0.032300 0.216135 -0.190137 -0.020258 0.009447 0.001023 0.270646 0.295466 0.183718 -0.021126 0.049968 0.101869 -0.074742 -0.016778 -0.035145 -0.065994 -0.225677 0.024384 -0.067481 -0.036180 0.014375 -0.026358 -0.047199 0.010484 0.017108 -0.027750 -0.227462 -0.003495 -0.005680 0.021923 -0.063905 -0.215734 0.764808 0.033545 0.004915 0.021860 -0.269805 0.307833 0.165415 0.002767 -0.040125 0.025737 0.135111 -0.022824 0.012883 0.067431 -0.091120 0.310112 0.053123 -0.013247 0.013418 0.017528 0.039549 0.036325 0.088967 0.053784 0.733618 -0.118733 -0.056601 0.194132 0.036856 -0.093670 0.170023 -0.032931 0.074937 -0.399384 0.004183 -0.051468 -0.605517 0.001527 0.059303 -0.014546 0.002997 -0.003332 -0.050292 0.120030 -0.045876 0.207386 0.010867 0.020536 0.033486 0.030290 0.000307 0.016375 -0.022895 0.003210 0.013106 0.002306 0.017012 0.006313 -0.015230 -0.052935 0.073558 0.249512 0.068748 -0.184484 -0.013590 -0.011464 -0.017524 -0.011465 0.186511 -0.025595 -0.004261 -0.004000 0.009160 -0.138084 -0.133278 -0.395481 -0.051102 -0.032130 0.027290 0.167041 -0.077701 -0.281477 0.024146 -0.027218 0.033960 0.013120 -0.003002 0.001267 -0.119961 0.017932 -0.470110 -0.037954 0.118540 -0.837942 -0.016335 -0.005279 -0.230085 -0.014579 -0.119677 -0.523148 0.026012 0.030601 -0.002581 0.053540 -0.004281 -0.672415 0.037072 0.015845 0.006758 -0.006140 -0.003760 0.014669 -0.028238 0.007743 0.016956 -0.014614 0.028291 -0.021268 -0.008555 -0.020739 -0.036530 -0.009096 -0.013604 -0.004882 -0.046493 -0.007511 -0.016033 -0.191602 0.067750 -0.174409 0.015544 0.010757 0.013990 0.022623 -0.011007 -0.007583 0.008546 0.012339 -0.052496 0.002436 -0.000286 0.018774 0.015722 -0.020132 0.014628 -0.470153 0.270711 0.455343 0.024689 0.039442 -0.034350 0.356295 -0.223045 0.275454 -0.000278 -0.009108 -0.003266 0.125222 -0.292611 -0.267384 -0.028059 -0.028659 0.021528 -0.014460 0.012048 0.036695 0.026500 0.369138 -0.156509 -0.031272 0.031086 0.005289 0.038036 0.043331 -0.002012 0.503844 0.010886 0.746509 -0.001133 0.020568 0.019495 -0.239280 0.190944 1.254912 0.010593 0.003048 -0.022082 -0.190963 -0.316019 0.084569 0.005701 0.047744 -0.009567 0.022035 -0.042532 0.013430 0.002010 0.111277 0.545440 0.023781 0.009640 0.025292 -0.026386 -0.009807 0.020668 -0.058579 -0.290978 -0.430616 0.020563 -0.038636 0.018535 0.031270 0.215255 -0.187350 -0.027294 0.005816 0.015437 0.268851 0.295453 0.183789 -0.021400 0.046491 0.076358 -0.171994 -0.076803 -0.454186 -0.066395 -0.224258 0.024810 -0.074432 -0.036613 0.016097 -0.017590 -0.051234 0.009657 0.017135 -0.026976 -0.226903 -0.005752 -0.002645 0.018449 -0.061388 -0.215954 0.765981 0.042674 0.002727 0.012792 -0.267839 0.308780 0.166012 0.005147 -0.042599 0.015731 0.084666 -0.024464 0.017545 0.067841 -0.091932 0.310683 0.052017 -0.013200 0.019170 0.014297 0.028493 0.036891 0.076858 0.047889 0.676294 -0.118769 -0.056764 0.193871 0.036861 -0.093516 0.169802 -0.032576 0.074828 -0.400182 0.004766 -0.051260 -0.606077 0.007778 0.060075 -0.012459 0.002928 -0.000589 -0.048244 0.119961 -0.045983 0.207076 0.011962 0.016532 0.034808 0.027509 -0.000395 0.017361 -0.020038 0.001847 0.012555 0.003602 0.015479 0.006570 -0.016797 -0.056604 0.065087 0.249354 0.068784 -0.185447 -0.012946 -0.008784 -0.015350 -0.011523 0.186404 -0.026034 0.000389 -0.003845 0.009616 -0.137704 -0.133214 -0.392124 -0.046468 -0.029165 0.026133 0.166828 -0.077681 -0.280354 0.023778 -0.027873 0.034095 0.010100 -0.003226 0.002597 -0.120029 0.017855 -0.470563 -0.037989 0.118497 -0.838607 -0.016824 -0.004942 -0.230258 -0.014661 -0.119738 -0.523503 0.029233 0.030974 -0.001625 0.053564 -0.004291 -0.673558 0.037532 0.013105 0.006493 -0.006271 -0.006249 0.012699 -0.018734 0.008177 0.016265 -0.017958 0.033655 -0.019997 -0.006376 -0.021364 -0.034672 -0.009188 -0.011704 -0.004484 -0.044955 -0.010977 -0.012757 -0.191679 0.067831 -0.172902 0.013710 0.011033 0.014684 0.022128 -0.012214 -0.004247 0.006110 0.013657 -0.049841 0.003142 -0.000685 0.015171 0.015985 -0.014722 0.012843 -0.469910 0.270737 0.455155 0.026120 0.039508 -0.028425 0.356289 -0.222530 0.275398 -0.000846 -0.008774 -0.004220 0.124972 -0.293147 -0.267971 -0.028957 -0.029692 0.021368 -0.011639 0.010816 0.038353 0.026849 0.369669 -0.156119 -0.031427 0.029991 0.004078 0.034925 0.047985 -0.000935 0.503644 0.011050 0.746619 -0.000226 0.019512 0.019895 -0.239511 0.190671 1.254624 0.009863 0.003391 -0.022790 -0.190761 -0.316265 0.084213 0.005284 0.049586 -0.011764 0.019203 -0.042170 0.012195 0.001503 0.111069 0.545500 0.023318 0.010210 0.025616 -0.027808 -0.008332 0.021862 -0.058438 -0.290989 -0.430591 0.021111 -0.037361 0.018542 0.031300 0.214350 -0.187108 -0.025471 0.005720 0.017070 0.269252 0.295916 0.182986 -0.021139 0.046990 0.069387 -0.163285 -0.073746 -0.397636 -0.066395 -0.224753 0.024341 -0.075720 -0.035315 0.015826 -0.018729 -0.055313 0.009898 0.016972 -0.027200 -0.226975 -0.005510 -0.002920 0.017121 -0.061167 -0.215795 0.765495 0.042923 0.001829 0.015025 -0.268338 0.309035 0.165624 0.005839 -0.042620 0.013447 0.069629 -0.024534 0.018328 0.067826 -0.091764 0.310226 0.051650 -0.013280 0.018430 0.014215 0.027632 0.037177 0.043161 0.031660 0.515287 -0.118539 -0.057061 0.194230 0.036685 -0.093255 0.170610 -0.031235 0.074924 -0.401289 0.006912 -0.050810 -0.605693 0.025815 0.060668 -0.004655 0.002095 0.007728 -0.043842 0.119768 -0.045959 0.206726 0.015706 0.007442 0.038332 0.019510 -0.004216 0.022107 -0.017294 -0.000794 0.016646 0.012058 0.009747 0.007963 -0.022329 -0.066608 0.040407 0.248458 0.068771 -0.187600 -0.011452 -0.000830 -0.008420 -0.011581 0.186190 -0.026429 0.013484 -0.002964 0.011689 -0.136729 -0.132898 -0.381829 -0.031989 -0.019777 0.022489 0.166630 -0.077317 -0.276469 0.023007 -0.029504 0.034843 0.001341 -0.003242 0.007665 -0.119922 0.017812 -0.470417 -0.037799 0.118865 -0.839173 -0.018293 -0.004033 -0.229302 -0.014440 -0.120096 -0.525118 0.037954 0.030414 0.000379 0.053755 -0.004315 -0.674961 0.042521 0.005148 0.004365 -0.008937 -0.014233 0.007746 0.007027 0.009660 0.013777 -0.029202 0.048747 -0.018478 0.000108 -0.023071 -0.028604 -0.009283 -0.006171 -0.002347 -0.040376 -0.020577 -0.002721 -0.191476 0.068132 -0.167727 0.007457 0.011401 0.016778 0.022552 -0.013016 0.007899 -0.001942 0.018308 -0.041851 0.005314 -0.001780 0.004460 0.016095 -0.000950 0.010825 -0.469084 0.272280 0.459106 0.027671 0.034614 -0.011010 0.356694 -0.221202 0.276970 0.001062 -0.005653 -0.011713 0.124569 -0.292785 -0.267460 -0.032118 -0.027224 0.011703 -0.008378 0.011542 0.040026 0.027064 0.369249 -0.155033 -0.033459 0.027693 0.002435 0.020054 0.048154 -0.002142 0.503043 0.010763 0.751382 -0.000437 0.014611 0.025731 -0.240027 0.190795 1.258313 0.011364 0.010507 -0.029522 -0.190365 -0.315486 0.085133 0.005491 0.048851 -0.016927 0.004946 -0.043325 0.003770 0.000972 0.110550 0.546493 0.025744 0.012374 0.025575 -0.019451 0.001001 0.023239 -0.057961 -0.291274 -0.428364 0.022410 -0.039924 0.015670 0.030059 0.211747 -0.184873 -0.025546 0.001764 0.028277 0.270374 0.295593 0.183416 -0.021883 0.038890 0.036531 -0.135117 -0.059466 -0.253680 -0.066642 -0.223938 0.024975 -0.078022 -0.026257 0.016029 -0.009188 -0.059406 0.007966 0.016516 -0.026573 -0.224618 -0.004985 0.000234 0.013377 -0.058637 -0.216198 0.768017 0.045899 0.000096 0.005574 -0.269348 0.308255 0.166402 0.008063 -0.042350 0.003102 0.015737 -0.024126 0.020492 0.068062 -0.091105 0.310603 0.048541 -0.013351 0.020549 0.011718 0.017941 0.036189 -0.021943 0.000119 0.206853 -0.117973 -0.057779 0.194708 0.036385 -0.092986 0.171396 -0.028441 0.074827 -0.403996 0.010767 -0.049286 -0.605248 0.061037 0.063661 0.005740 -0.001015 0.024841 -0.031158 0.119546 -0.046059 0.206387 0.024032 -0.007458 0.044810 0.003724 -0.010104 0.029540 -0.013148 -0.007699 0.024142 0.028340 -0.002949 0.011178 -0.032944 -0.085605 -0.008186 0.246598 0.069670 -0.192695 -0.007382 0.014699 0.004315 -0.011565 0.186662 -0.026826 0.039927 -0.002297 0.015664 -0.133728 -0.132397 -0.361844 -0.001948 -0.001057 0.017106 0.165277 -0.077235 -0.268854 0.021293 -0.032649 0.036343 -0.015527 -0.003135 0.017854 -0.119036 0.018197 -0.470811 -0.037507 0.119337 -0.840888 -0.020804 -0.001903 -0.227110 -0.014133 -0.120609 -0.526448 0.055459 0.030938 0.003939 0.054023 -0.003899 -0.679010 0.052546 -0.009862 0.000100 -0.014608 -0.029429 -0.002474 0.052583 0.013318 0.009008 -0.056065 0.081232 -0.015118 0.013936 -0.026347 -0.015837 -0.009007 0.005751 0.000645 -0.031256 -0.042641 0.016806 -0.190862 0.069037 -0.157489 -0.006172 0.012913 0.021271 0.020730 -0.016022 0.030488 -0.017526 0.027510 -0.024900 0.011558 -0.006052 -0.017884 0.014950 0.026409 0.007351 -0.467899 0.276070 0.465017 0.028306 0.027300 0.027369 0.357965 -0.220127 0.279016 0.007876 0.004095 -0.022692 0.124424 -0.292170 -0.267451 -0.035356 -0.024323 -0.003055 -0.002838 0.011910 0.043398 0.027316 0.368374 -0.155557 -0.036126 0.023401 -0.001355 -0.011007 0.052639 -0.000529 0.502623 0.011007 0.760904 0.004409 0.005530 0.042474 -0.241488 0.190858 1.265119 0.012288 0.021953 -0.042848 -0.190190 -0.314792 0.086204 0.005106 0.043544 -0.030471 -0.019789 -0.046168 -0.012823 0.000150 0.113178 0.547867 0.025474 0.021112 0.026606 -0.002236 0.018061 0.030275 -0.057218 -0.292773 -0.424454 0.026628 -0.045031 0.005231 0.027764 0.208378 -0.181175 -0.024225 -0.005486 0.050270 0.268622 0.295514 0.183202 -0.023685 0.021802 -0.026594 -0.083628 -0.040174 0.021182 -0.066847 -0.222545 0.025139 -0.079586 -0.012568 0.013191 0.010895 -0.062251 0.002763 0.015916 -0.025801 -0.220707 -0.003211 0.003261 0.007075 -0.053502 -0.216573 0.771158 0.051108 -0.004248 -0.013793 -0.267320 0.308063 0.167215 0.013648 -0.042829 -0.016086 -0.086682 -0.024928 0.029050 0.068353 -0.093044 0.310986 0.038163 -0.012212 0.024520 0.005681 -0.001667 0.035495 -0.144887 -0.061752 -0.376166 -0.117210 -0.059195 0.195736 0.035459 -0.092302 0.173520 -0.023345 0.074656 -0.409631 0.018411 -0.046544 -0.605254 0.143257 0.066626 0.038772 0.001283 0.062577 -0.009308 0.118914 -0.046225 0.205547 0.041561 -0.043657 0.055239 -0.032512 -0.020757 0.044425 -0.004371 -0.024048 0.030652 0.061851 -0.026687 0.018088 -0.054230 -0.119270 -0.099654 0.242507 0.071114 -0.202614 0.000118 0.043789 0.031852 -0.011925 0.187415 -0.027746 0.088060 -0.000594 0.023609 -0.128023 -0.131596 -0.325073 0.064204 0.031915 0.008304 0.162293 -0.077060 -0.253998 0.017709 -0.039032 0.039448 -0.048581 -0.003394 0.038079 -0.117798 0.018551 -0.471772 -0.037327 0.120081 -0.844229 -0.026315 0.002330 -0.222688 -0.013926 -0.121645 -0.529757 0.087766 0.032001 0.012147 0.054548 -0.003409 -0.687016 0.073944 -0.039021 -0.007477 -0.027229 -0.059310 -0.024316 0.133520 0.021038 -0.002272 -0.103419 0.141428 -0.005917 0.040565 -0.034235 0.011255 -0.010486 0.029442 0.007893 -0.011334 -0.087473 0.058520 -0.189947 0.070586 -0.138073 -0.030158 0.016251 0.032413 0.017485 -0.020750 0.075786 -0.049821 0.046463 0.012033 0.020150 -0.014697 -0.065338 0.012032 0.085243 0.000749 -0.466972 0.282515 0.477330 0.032443 0.012989 0.092720 0.359967 -0.218508 0.283244 0.014991 0.018497 -0.049240 0.123850 -0.292616 -0.267402 -0.042432 -0.014697 -0.039351 0.006657 0.019549 0.051332 0.028232 0.367518 -0.155863 -0.041968 0.010155 -0.009154 -0.069736 0.066957 0.004787 0.502417 0.011346 0.779945 0.012214 -0.012030 0.069143 -0.244528 0.191025 1.277925 0.014564 0.047235 -0.069528 -0.190135 -0.313540 0.088311 0.001256 0.032105 -0.054610 -0.072071 -0.055356 -0.041898 -0.002592 0.115226 0.550846 0.028684 0.031857 0.033202 0.029766 0.063792 0.044198 -0.055911 -0.295240 -0.416639 0.034222 -0.051306 -0.014383 0.023250 0.201728 -0.174367 -0.022139 -0.020004 0.093653 0.268819 0.296458 0.182654 -0.016646 -0.016536 -0.146754 0.013157 -0.012127 0.520471 -0.067702 -0.220832 0.025495 -0.087829 0.019119 0.011647 0.044879 -0.074995 0.000831 0.014299 -0.024325 -0.213235 -0.001611 0.015385 -0.005803 -0.044057 -0.217680 0.778435 0.063357 -0.010410 -0.051159 -0.267650 0.307426 0.168656 0.024479 -0.044913 -0.052000 -0.280717 -0.022634 0.038690 0.068891 -0.094084 0.311649 0.020920 -0.010597 0.037792 -0.009409 -0.037303 0.032663 -0.061438 -0.019221 0.019893 -0.117637 -0.058242 0.194541 0.036179 -0.092829 0.171381 -0.026716 0.074836 -0.406110 0.012995 -0.048192 -0.606119 0.083849 0.065470 0.013734 -0.000764 0.035219 -0.022895 0.119491 -0.046155 0.206134 0.028260 -0.019510 0.047666 -0.005764 -0.012456 0.032948 -0.012093 -0.010948 0.028250 0.039076 -0.010341 0.013737 -0.040323 -0.096554 -0.038242 0.245782 0.070734 -0.196644 -0.004665 0.022709 0.012955 -0.011460 0.187349 -0.027379 0.055059 -0.000896 0.017239 -0.131389 -0.132158 -0.350685 0.016153 0.009322 0.012287 0.164015 -0.077641 -0.264782 0.020125 -0.034736 0.036993 -0.025578 -0.003788 0.023973 -0.118247 0.018325 -0.472279 -0.037329 0.119486 -0.843135 -0.022494 -0.000403 -0.226129 -0.014035 -0.121026 -0.526557 0.065313 0.031688 0.007314 0.054304 -0.003721 -0.683982 0.058912 -0.018211 -0.001634 -0.018125 -0.037576 -0.008896 0.080529 0.015065 0.005070 -0.069153 0.099731 -0.011420 0.021783 -0.028624 -0.007738 -0.009458 0.013940 0.001849 -0.023141 -0.055768 0.030749 -0.190663 0.069760 -0.152169 -0.012874 0.014049 0.024333 0.018908 -0.018119 0.043399 -0.026655 0.033514 -0.012583 0.014362 -0.008459 -0.033199 0.014995 0.044163 0.005421 -0.467067 0.277606 0.468755 0.029072 0.021962 0.044252 0.358302 -0.219990 0.279775 0.009522 0.007004 -0.030484 0.125174 -0.293459 -0.268140 -0.035113 -0.021909 -0.012106 -0.002476 0.010319 0.048921 0.027397 0.369045 -0.155783 -0.039151 0.020143 -0.003580 -0.028451 0.056740 0.005543 0.502263 0.011457 0.767976 0.007853 0.000296 0.049028 -0.242186 0.190675 1.269330 0.013258 0.029267 -0.049008 -0.190858 -0.315865 0.085997 0.002711 0.041108 -0.036422 -0.033541 -0.045749 -0.020731 -0.000242 0.114616 0.548272 0.025966 0.024594 0.028078 0.004602 0.031780 0.037422 -0.056895 -0.293097 -0.422431 0.028403 -0.046670 -0.002436 0.026830 0.206569 -0.180032 -0.022846 -0.009300 0.062277 0.269194 0.296995 0.181952 -0.020689 0.011443 -0.062875 -0.049059 -0.031381 0.192902 -0.067161 -0.222775 0.024554 -0.081282 -0.004905 0.013123 0.019100 -0.067306 0.002886 0.015722 -0.025660 -0.218867 -0.002610 0.005644 0.003316 -0.050954 -0.216496 0.771995 0.052387 -0.005905 -0.027688 -0.267809 0.309582 0.166973 0.017821 -0.041942 -0.026301 -0.150257 -0.026332 0.033971 0.068991 -0.093683 0.310632 0.033153 -0.012906 0.028656 0.000837 -0.011296 0.033009 -0.057221 -0.016376 0.038887 -0.117652 -0.058058 0.195106 0.036169 -0.092694 0.171822 -0.026257 0.074518 -0.405319 0.013675 -0.048062 -0.605381 0.079236 0.056276 0.018326 -0.000160 0.035949 -0.022154 0.119464 -0.045990 0.206037 0.027002 -0.019251 0.043346 -0.005536 -0.013040 0.029414 -0.009425 -0.009907 0.024868 0.036787 -0.009253 0.015492 -0.038745 -0.087113 -0.039301 0.245154 0.070174 -0.196028 -0.002610 0.021153 0.015809 -0.011637 0.187134 -0.027477 0.052132 -0.000917 0.015956 -0.131820 -0.131596 -0.347631 0.016767 0.009555 0.013939 0.164772 -0.077029 -0.264436 0.019928 -0.034832 0.038019 -0.026559 -0.003137 0.020739 -0.118544 0.018147 -0.471481 -0.037390 0.119747 -0.842319 -0.022930 -0.000816 -0.226029 -0.014064 -0.121064 -0.527482 0.060045 0.030423 0.007207 0.054475 -0.003896 -0.682998 0.056318 -0.019498 -0.001534 -0.018248 -0.037190 -0.009475 0.075403 0.014802 0.006394 -0.066433 0.095934 -0.007835 0.019463 -0.026341 -0.006183 -0.008662 0.012929 0.001463 -0.023683 -0.053248 0.032006 -0.190259 0.069410 -0.151533 -0.011851 0.012392 0.023898 0.016668 -0.015300 0.043451 -0.022061 0.030732 -0.012745 0.011324 -0.006813 -0.032230 0.014028 0.042117 0.003424 -0.467864 0.277390 0.468367 0.026746 0.019212 0.048541 0.358037 -0.219671 0.280703 0.008604 0.007851 -0.029088 0.123097 -0.292494 -0.267818 -0.033130 -0.019790 -0.011428 -0.000452 0.009228 0.048276 0.027502 0.368702 -0.155983 -0.039104 0.021416 -0.001770 -0.026687 0.055767 0.004466 0.502908 0.011426 0.766978 0.008880 -0.000034 0.047948 -0.241886 0.191168 1.268572 0.012159 0.028816 -0.046902 -0.188844 -0.314508 0.086439 0.003669 0.039483 -0.035445 -0.031647 -0.043394 -0.022628 -0.000525 0.112642 0.548694 0.024965 0.023531 0.027698 0.007097 0.031280 0.034651 -0.057464 -0.292503 -0.423751 0.026600 -0.043586 0.000693 0.027008 0.206211 -0.180135 -0.020369 -0.009730 0.059878 0.269641 0.295962 0.182305 -0.020487 0.010085 -0.065645 -0.053830 -0.034028 0.161264 -0.067154 -0.222609 0.024826 -0.078613 -0.003624 0.013362 0.022780 -0.065966 -0.000086 0.015710 -0.025499 -0.217375 -0.000355 0.005260 0.004601 -0.050894 -0.217044 0.772971 0.050613 -0.006010 -0.023441 -0.268312 0.308168 0.167266 0.018120 -0.044135 -0.024805 -0.143149 -0.020909 0.031410 0.068768 -0.092077 0.311084 0.030620 -0.011603 0.028977 0.000186 -0.014357 0.030302 -0.045341 -0.008397 0.096082 -0.117443 -0.058077 0.196526 0.035971 -0.092471 0.172353 -0.024737 0.073344 -0.402367 0.015260 -0.046752 -0.603234 0.062092 0.028483 0.032223 0.003216 0.036552 -0.016162 0.119542 -0.046004 0.206590 0.019873 -0.016258 0.030035 -0.004099 -0.011303 0.018203 -0.002954 -0.005237 0.017523 0.030068 -0.005881 0.021985 -0.033976 -0.061171 -0.041041 0.244410 0.069871 -0.195711 0.002317 0.015759 0.024084 -0.011897 0.187132 -0.027377 0.041465 0.000482 0.011276 -0.132167 -0.130019 -0.339516 0.018437 0.012645 0.018862 0.166313 -0.076421 -0.264033 0.019022 -0.035426 0.040720 -0.028131 -0.002306 0.012942 -0.118109 0.018009 -0.471419 -0.037438 0.119859 -0.842349 -0.024233 -0.001581 -0.225318 -0.014147 -0.121450 -0.527408 0.044637 0.027897 0.009470 0.054922 -0.004002 -0.684664 0.049747 -0.021970 -0.000568 -0.018093 -0.034051 -0.009784 0.061982 0.014193 0.008135 -0.058055 0.088023 0.003515 0.012103 -0.019210 -0.002084 -0.007092 0.011166 -0.001096 -0.025181 -0.043976 0.034956 -0.189291 0.068750 -0.150060 -0.008598 0.007921 0.023106 0.009279 -0.007534 0.041953 -0.008283 0.022915 -0.011578 0.004567 -0.003081 -0.027202 0.011650 0.034997 -0.002634 -0.468641 0.276878 0.469132 0.019499 0.007936 0.051073 0.356745 -0.219149 0.284018 0.004046 0.010511 -0.026683 0.122099 -0.292333 -0.268163 -0.025541 -0.004265 -0.013622 -0.000115 0.001634 0.044325 0.027566 0.368509 -0.155893 -0.035011 0.010134 -0.000574 -0.025275 0.049680 0.004340 0.503486 0.012376 0.770087 0.013835 -0.000749 0.046537 -0.240845 0.192237 1.271432 0.012743 0.027275 -0.033244 -0.187975 -0.314146 0.086590 0.009438 0.030952 -0.031648 -0.020555 -0.030949 -0.027225 -0.001135 0.112202 0.549167 0.025477 0.021055 0.028340 0.012815 0.030599 0.031158 -0.058870 -0.290567 -0.427632 0.019750 -0.028809 0.005186 0.027991 0.204925 -0.181407 -0.010649 -0.011023 0.050191 0.269881 0.295801 0.181865 -0.015136 -0.002273 -0.077895 -0.074860 -0.053029 0.060453 -0.066943 -0.222432 0.024709 -0.060781 0.004289 0.013791 0.028192 -0.057079 0.000723 0.015395 -0.025781 -0.212249 0.008029 0.003859 0.006520 -0.050765 -0.218160 0.774605 0.029570 -0.004859 -0.013982 -0.268605 0.307887 0.167238 0.013890 -0.039393 -0.022777 -0.114816 -0.011075 0.027642 0.068517 -0.091583 0.310854 0.019940 -0.008917 0.033144 0.000002 -0.027586 0.024943 -0.021004 0.008260 0.215601 -0.116886 -0.058520 0.199702 0.035426 -0.092229 0.173567 -0.021990 0.070852 -0.396244 0.018291 -0.044182 -0.598281 0.026512 -0.025785 0.054411 0.007789 0.038722 -0.006241 0.119503 -0.046501 0.207817 0.011758 -0.009935 0.004503 -0.001825 -0.011687 0.000288 0.007931 0.003237 0.001691 0.016822 0.001692 0.035772 -0.024401 -0.010032 -0.044931 0.243642 0.069180 -0.195741 0.013557 0.006369 0.041453 -0.012381 0.186492 -0.027081 0.020494 0.002345 0.001675 -0.132835 -0.127070 -0.322930 0.023256 0.018205 0.032565 0.169225 -0.075420 -0.262896 0.017274 -0.036886 0.046935 -0.030847 -0.000357 -0.001769 -0.117224 0.017781 -0.471419 -0.037476 0.119952 -0.842933 -0.026741 -0.003263 -0.224213 -0.014303 -0.122489 -0.525586 0.013863 0.022855 0.013210 0.055507 -0.004192 -0.687769 0.033569 -0.027223 0.001992 -0.017841 -0.028412 -0.010043 0.034896 0.012522 0.012468 -0.036416 0.072386 0.024018 -0.001378 -0.002811 0.007167 -0.003832 0.006360 -0.005856 -0.027201 -0.026062 0.039106 -0.187559 0.067442 -0.146991 -0.003235 -0.001187 0.020890 -0.004504 0.006489 0.037103 0.021173 0.006295 -0.006810 -0.009434 0.003879 -0.017044 0.006752 0.019096 -0.014840 -0.468660 0.275541 0.470791 0.000462 -0.018490 0.057316 0.353576 -0.215400 0.291434 -0.004317 0.016114 -0.019609 0.121751 -0.291435 -0.268502 -0.003541 0.027047 -0.016735 0.003808 -0.014132 0.037671 0.027227 0.369143 -0.154011 -0.023804 -0.010318 0.000309 -0.021327 0.028872 0.003764 0.502881 0.014577 0.776496 0.022185 -0.001480 0.042627 -0.238805 0.193861 1.279231 0.014133 0.022543 -0.002840 -0.188190 -0.312759 0.087307 0.016003 0.011655 -0.023156 0.002737 -0.007274 -0.038882 -0.001995 0.112835 0.549841 0.020523 0.014688 0.025046 0.023925 0.031420 0.022973 -0.061152 -0.286968 -0.435255 0.004131 -0.002033 0.013949 0.030103 0.199514 -0.184151 0.007085 -0.012502 0.026015 0.270804 0.294546 0.181374 -0.005497 -0.023557 -0.096214 -0.124069 -0.085255 -0.153129 -0.066946 -0.223087 0.024825 -0.027038 0.015065 0.009968 0.042078 -0.030271 -0.001162 0.014104 -0.027013 -0.201558 0.023419 0.000850 0.009459 -0.050644 -0.220431 0.777413 -0.012240 -0.002142 0.007114 -0.269725 0.306373 0.167728 0.006436 -0.025727 -0.017080 -0.055195 0.010817 0.020084 0.068325 -0.092177 0.310629 -0.000766 -0.004491 0.041081 0.000287 -0.044689 0.015525 -0.010453 0.015576 0.265919 -0.116831 -0.058731 0.200363 0.035182 -0.092272 0.173356 -0.020667 0.069522 -0.394213 0.019643 -0.043317 -0.597101 0.013556 -0.046390 0.065160 0.008831 0.039286 -0.000628 0.119549 -0.046718 0.208034 0.007506 -0.008545 -0.007256 -0.000538 -0.010945 -0.006970 0.013250 0.006820 -0.002751 0.010588 0.005003 0.042151 -0.018776 0.013328 -0.045813 0.242783 0.068692 -0.195928 0.018464 0.001162 0.048434 -0.012729 0.186517 -0.027485 0.011225 0.003532 -0.003585 -0.132904 -0.126092 -0.316265 0.025990 0.021053 0.036938 0.170194 -0.075206 -0.263022 0.016268 -0.037740 0.048750 -0.032725 -0.000129 -0.008958 -0.117068 0.017313 -0.472045 -0.037649 0.119733 -0.843564 -0.028021 -0.004008 -0.223800 -0.014517 -0.122986 -0.525613 0.000214 0.020272 0.015258 0.055858 -0.004663 -0.689778 0.025881 -0.029183 0.003215 -0.017457 -0.025702 -0.010565 0.023124 0.011821 0.014239 -0.028477 0.064659 0.033423 -0.008020 0.003550 0.010744 -0.001916 0.004669 -0.008840 -0.028379 -0.018644 0.041107 -0.186875 0.066657 -0.146411 -0.000048 -0.005770 0.019667 -0.010923 0.012437 0.035271 0.034281 0.000138 -0.005381 -0.016108 0.007067 -0.012873 0.004369 0.011460 -0.020966 -0.469676 0.275133 0.471230 -0.006929 -0.027209 0.062859 0.352473 -0.216410 0.293507 -0.008300 0.018355 -0.016918 0.120271 -0.292285 -0.269140 0.004529 0.037134 -0.016421 0.006023 -0.021739 0.038744 0.027222 0.368418 -0.154695 -0.021329 -0.017286 -0.000954 -0.018971 0.025260 0.003371 0.503592 0.015212 0.778297 0.025492 -0.002326 0.040237 -0.237886 0.194076 1.280493 0.013555 0.020092 0.007643 -0.186869 -0.313334 0.087119 0.020949 0.005866 -0.023818 0.011680 0.004506 -0.043962 -0.002485 0.111770 0.549854 0.017287 0.012071 0.023554 0.029254 0.029630 0.021486 -0.062658 -0.285751 -0.437970 -0.002662 0.009766 0.016352 0.030494 0.199164 -0.184794 0.012145 -0.011729 0.018983 0.270199 0.294779 0.180871 -0.002701 -0.026905 -0.104211 -0.136007 -0.096342 -0.228021 -0.066903 -0.223213 0.024541 -0.014619 0.019289 0.007567 0.047608 -0.024399 0.000091 0.014008 -0.027579 -0.197559 0.028834 -0.001111 0.010428 -0.050376 -0.221136 0.778196 -0.030646 -0.000532 0.015222 -0.269422 0.306559 0.167419 0.006247 -0.021933 -0.014538 -0.032684 0.018557 0.017061 0.068175 -0.091630 0.310497 -0.007027 -0.003568 0.042814 0.002437 -0.052445 0.012349 -0.122995 -0.056945 -0.295516 -0.116629 -0.058675 0.201261 0.034950 -0.092387 0.173767 -0.020103 0.067882 -0.389205 0.021363 -0.041973 -0.594367 -0.004975 -0.045579 0.060551 0.011603 0.029613 -0.004901 0.119531 -0.046871 0.208161 0.002529 -0.005728 -0.011906 0.002903 -0.008254 -0.010765 0.015634 0.006835 -0.006763 0.004180 0.007551 0.040498 -0.015325 0.026415 -0.031817 0.242114 0.068586 -0.195510 0.021446 -0.001662 0.049582 -0.013035 0.186719 -0.027227 -0.001553 0.004341 -0.005792 -0.132988 -0.126107 -0.317582 0.001292 0.017846 0.029473 0.171110 -0.075118 -0.263614 0.016023 -0.038082 0.050721 -0.025066 0.001807 -0.014546 -0.116553 0.017336 -0.471080 -0.037922 0.119828 -0.843474 -0.029392 -0.004323 -0.222615 -0.014861 -0.123330 -0.524554 -0.009879 0.010322 0.016781 0.056069 -0.004691 -0.691129 0.011843 -0.026071 0.005002 -0.013859 -0.016062 -0.007475 0.008830 0.006769 0.017672 -0.016128 0.047843 0.034350 -0.007389 0.007453 0.015827 -0.001651 0.000133 -0.007822 -0.021628 -0.004246 0.037619 -0.186321 0.066934 -0.148353 0.003740 -0.003983 0.021054 -0.012687 0.014753 0.029111 0.032497 -0.006559 -0.012008 -0.021065 0.007080 -0.005967 -0.000663 -0.000190 -0.021559 -0.470444 0.273249 0.466212 -0.011940 -0.031160 0.046170 0.350524 -0.216661 0.295447 -0.009169 0.015468 -0.010010 0.119752 -0.291890 -0.269609 0.009466 0.042336 -0.013863 0.008523 -0.019888 0.038284 0.027315 0.368484 -0.155072 -0.013449 -0.021954 0.004323 -0.010307 0.010248 0.008833 0.503622 0.016388 0.778900 0.022022 -0.002278 0.034659 -0.235788 0.194740 1.282464 0.014106 0.014191 0.025677 -0.186811 -0.311918 0.087135 0.018952 -0.002688 -0.015519 0.024472 0.011417 -0.038183 -0.003255 0.111342 0.549288 0.014475 0.009855 0.020325 0.021094 0.012960 0.021978 -0.064012 -0.282229 -0.441988 -0.007746 0.019625 0.016562 0.032717 0.198815 -0.187112 0.017245 -0.009719 -0.001446 0.270560 0.294278 0.180217 0.004040 -0.031807 -0.079359 0.002416 -0.015229 0.305217 -0.067498 -0.223507 0.024349 -0.000057 0.021055 0.006574 0.040704 -0.009246 0.003592 0.013518 -0.028625 -0.193149 0.025431 0.001938 0.009460 -0.051919 -0.221875 0.777764 -0.036924 0.000942 0.018101 -0.270075 0.305326 0.167144 0.000085 -0.011966 -0.009065 0.004769 0.020596 0.018020 0.068545 -0.091265 0.310048 -0.010271 -0.001670 0.039525 0.000322 -0.046887 0.012226 -0.097311 -0.040049 -0.159828 -0.116697 -0.058835 0.201317 0.034932 -0.092584 0.173978 -0.020336 0.068204 -0.389970 0.020718 -0.042192 -0.594636 0.000538 -0.045260 0.061759 0.010868 0.033751 -0.003352 0.119542 -0.046976 0.208463 0.004366 -0.007155 -0.009167 0.002229 -0.009228 -0.008253 0.013981 0.006693 -0.001354 0.005975 0.006895 0.041635 -0.016041 0.023523 -0.034727 0.242280 0.069037 -0.195853 0.020768 -0.001026 0.049520 -0.012916 0.187025 -0.026781 0.001304 0.003953 -0.005088 -0.132801 -0.126136 -0.317570 0.007359 0.017738 0.031630 0.170652 -0.075538 -0.263390 0.016096 -0.038047 0.050446 -0.026591 0.001347 -0.012141 -0.116314 0.017440 -0.471196 -0.037845 0.119724 -0.843358 -0.028927 -0.004286 -0.222414 -0.014796 -0.123333 -0.524295 -0.006620 0.013630 0.016612 0.055915 -0.004550 -0.691398 0.016287 -0.027247 0.004617 -0.015236 -0.018774 -0.007673 0.011661 0.007879 0.017247 -0.019034 0.050722 0.034144 -0.007274 0.006405 0.014545 -0.001787 0.001115 -0.007888 -0.023264 -0.007870 0.037678 -0.186453 0.066809 -0.147652 0.002831 -0.004457 0.021138 -0.011990 0.014171 0.031408 0.032924 -0.004450 -0.009409 -0.019580 0.007180 -0.007077 0.000382 0.002521 -0.021156 -0.471000 0.273397 0.467249 -0.011933 -0.030182 0.042866 0.350394 -0.217460 0.295380 -0.008766 0.015550 -0.011376 0.120538 -0.292141 -0.269471 0.009807 0.044141 -0.015187 0.005676 -0.021936 0.036741 0.026712 0.368563 -0.155864 -0.011054 -0.022895 0.003875 -0.011801 0.008255 0.007698 0.504096 0.016725 0.780517 0.021966 -0.002401 0.035187 -0.235982 0.194395 1.283050 0.014012 0.014842 0.025160 -0.187571 -0.313235 0.087124 0.018561 -0.003614 -0.013730 0.023474 0.009909 -0.038085 -0.002782 0.112949 0.549538 0.012658 0.009040 0.017695 0.022360 0.015633 0.020524 -0.063953 -0.282588 -0.441498 -0.007885 0.018425 0.013279 0.032758 0.199751 -0.186432 0.016091 -0.009046 -0.002286 0.269643 0.294576 0.180409 0.003444 -0.032912 -0.082461 -0.027715 -0.032001 0.174347 -0.067260 -0.223530 0.024470 -0.000532 0.021668 0.006245 0.044007 -0.007691 0.003371 0.013632 -0.029026 -0.193972 0.025021 0.001675 0.008384 -0.052029 -0.221576 0.777258 -0.038999 0.000763 0.014495 -0.269145 0.306563 0.167348 0.000139 -0.010985 -0.009640 -0.001683 0.019631 0.018020 0.068302 -0.092736 0.310222 -0.011301 -0.001358 0.037743 -0.001693 -0.046902 0.011295 -0.080373 -0.033315 -0.096384 -0.116596 -0.058772 0.200765 0.034936 -0.092351 0.173210 -0.020981 0.066874 -0.386254 0.022173 -0.041303 -0.593343 -0.007808 -0.026588 0.048854 0.010244 0.021343 -0.012067 0.119609 -0.047207 0.207883 -0.001266 -0.002619 -0.008404 0.002449 -0.005554 -0.009818 0.014383 0.005536 -0.005298 0.004173 0.005725 0.033144 -0.014110 0.024187 -0.010009 0.243204 0.068774 -0.196000 0.021080 0.001116 0.041353 -0.012848 0.186009 -0.028095 -0.003803 0.003984 -0.004261 -0.133428 -0.127383 -0.325732 -0.007028 0.011242 0.025656 0.171736 -0.075620 -0.264625 0.016860 -0.038172 0.050482 -0.016031 0.002829 -0.013257 -0.116474 0.017486 -0.470252 -0.038078 0.119851 -0.844226 -0.030030 -0.004056 -0.223960 -0.015104 -0.123589 -0.523163 -0.007836 0.002663 0.016783 0.056030 -0.004708 -0.693724 0.003863 -0.020553 0.005769 -0.010284 -0.009490 -0.005439 0.003571 0.001672 0.021012 -0.010127 0.035010 0.032927 -0.001800 0.006083 0.016699 -0.002199 -0.001686 -0.005197 -0.014017 0.003111 0.032398 -0.186879 0.067798 -0.151667 0.002600 -0.000027 0.022433 -0.010761 0.012462 0.023984 0.017063 -0.005969 -0.020632 -0.018138 0.004661 -0.004739 -0.003930 -0.003665 -0.016424 -0.469521 0.271934 0.459685 -0.009406 -0.019712 0.035316 0.349398 -0.214058 0.295161 -0.006354 0.011183 -0.006394 0.121169 -0.292627 -0.270169 0.006034 0.035088 -0.010914 0.008958 -0.010748 0.038619 0.027379 0.369039 -0.152286 -0.010296 -0.018211 0.006226 -0.005264 0.007811 0.012165 0.502170 0.016861 0.780786 0.017408 -0.001666 0.032138 -0.234386 0.194094 1.283881 0.014482 0.009583 0.029398 -0.188509 -0.312994 0.086774 0.017096 -0.001305 -0.009874 0.024908 0.008601 -0.029330 -0.003403 0.113238 0.547740 0.012196 0.007732 0.018457 0.014568 0.002696 0.024269 -0.064374 -0.280404 -0.443045 -0.004294 0.014008 0.016760 0.034120 0.196391 -0.187886 0.014420 -0.007940 -0.007678 0.269415 0.294943 0.179800 0.006927 -0.029174 -0.049380 -0.034581 -0.036100 0.102963 -0.067940 -0.223985 0.024247 0.000114 0.019186 0.005954 0.031458 -0.005066 0.002140 0.013461 -0.029395 -0.193288 0.017459 0.005525 0.007413 -0.053319 -0.221326 0.775170 -0.023015 -0.000241 0.017717 -0.269054 0.306394 0.166752 -0.003655 -0.010361 -0.005819 0.014760 0.014862 0.019200 0.069097 -0.093162 0.309403 -0.004978 -0.000842 0.033780 0.001304 -0.035641 0.013765 -0.032657 -0.013322 0.094421 -0.116115 -0.058065 0.201400 0.035082 -0.093037 0.174627 -0.022475 0.063304 -0.372540 0.026372 -0.038803 -0.586954 -0.031692 0.032982 0.009249 0.011124 -0.004268 -0.037130 0.120082 -0.047240 0.208362 -0.012258 0.007455 -0.000255 0.000176 0.004397 -0.009161 0.013465 0.004874 -0.006756 0.000963 0.002846 0.012377 -0.007980 0.027785 0.068480 0.242190 0.069452 -0.194819 0.023476 0.008492 0.020128 -0.012877 0.187643 -0.027316 -0.023373 0.002615 0.001009 -0.132423 -0.131558 -0.352469 -0.051694 -0.010586 0.012425 0.172321 -0.076672 -0.266581 0.019108 -0.037921 0.051792 0.017857 0.008116 -0.013421 -0.114680 0.017843 -0.465014 -0.038925 0.120253 -0.842929 -0.032716 -0.003419 -0.220335 -0.016042 -0.123931 -0.519201 -0.009084 -0.028213 0.019269 0.056562 -0.004685 -0.697360 -0.029080 -0.001845 0.010430 0.005283 0.019756 0.003862 -0.021108 -0.019193 0.032034 0.018565 -0.016965 0.025333 0.015973 0.006028 0.027272 -0.003837 -0.010064 0.005653 0.010108 0.033230 0.018393 -0.186731 0.070812 -0.161569 0.001780 0.014886 0.028439 -0.003091 0.009229 0.006721 -0.029983 -0.011552 -0.047861 -0.014728 -0.004375 0.004047 -0.018505 -0.020267 -0.001739 -0.473053 0.265017 0.438792 -0.002432 0.013343 -0.030527 0.345276 -0.218915 0.296444 0.002379 -0.005023 0.013779 0.120421 -0.293017 -0.270258 -0.005786 0.013208 -0.002924 0.011621 0.021464 0.024445 0.028228 0.368219 -0.155004 0.003869 -0.011447 0.023657 0.018212 -0.025222 0.025438 0.503978 0.018859 0.783595 -0.005835 0.003077 0.013487 -0.228086 0.195224 1.287111 0.013368 -0.013145 0.055663 -0.188129 -0.312433 0.087758 0.009989 -0.012322 0.019858 0.033392 0.004396 0.004570 -0.005481 0.112511 0.546932 -0.003919 -0.008076 -0.002078 -0.013347 -0.043289 0.029945 -0.067419 -0.269485 -0.447683 -0.000315 0.007797 0.011869 0.042031 0.201134 -0.190511 0.002285 0.003902 -0.039772 0.268491 0.295482 0.179365 0.020676 -0.023007 0.082030 -0.040232 -0.044444 -0.161274 -0.069099 -0.223434 0.025348 0.029973 0.010091 0.009378 -0.009676 0.025041 0.007507 0.014450 -0.032060 -0.186046 -0.010761 0.017668 -0.000963 -0.060196 -0.221838 0.771007 0.012039 -0.001736 0.003989 -0.268292 0.306397 0.167216 -0.015995 0.007790 0.007962 0.079652 -0.006118 0.021932 0.070242 -0.092349 0.310111 0.010859 0.002142 0.006027 -0.001811 0.008580 0.019511 -0.048278 -0.020422 0.036418 -0.116263 -0.058473 0.201061 0.034943 -0.092945 0.173971 -0.022165 0.064291 -0.376110 0.024922 -0.039479 -0.589075 -0.021842 0.013696 0.022010 0.010357 0.004502 -0.029626 0.119854 -0.047370 0.207969 -0.009382 0.003698 -0.002707 -0.000725 0.001656 -0.008809 0.014282 0.004435 -0.004688 0.002255 0.004050 0.020537 -0.010042 0.026957 0.044885 0.242864 0.069495 -0.195562 0.022261 0.005673 0.026519 -0.012885 0.186810 -0.027588 -0.018001 0.002831 -0.000660 -0.133683 -0.130258 -0.345210 -0.038213 -0.003926 0.015872 0.172964 -0.076605 -0.266471 0.018471 -0.037983 0.051153 0.008403 0.006202 -0.013159 -0.114837 0.017817 -0.467095 -0.038862 0.120309 -0.843377 -0.031943 -0.003659 -0.222740 -0.015915 -0.124138 -0.522117 -0.008180 -0.017578 0.018864 0.056632 -0.004542 -0.698190 -0.017814 -0.007461 0.008951 -0.000153 0.011053 0.002687 -0.015323 -0.012286 0.028299 0.010600 -0.001989 0.027846 0.010714 0.006156 0.023996 -0.003999 -0.007546 0.001523 0.001986 0.024051 0.022224 -0.186952 0.070068 -0.159133 0.002788 0.010081 0.028430 -0.005386 0.010229 0.011657 -0.016700 -0.009237 -0.039961 -0.015198 -0.001248 0.001905 -0.014414 -0.015539 -0.005326 -0.470874 0.267414 0.443681 -0.005011 0.004712 -0.012525 0.346372 -0.216084 0.295959 0.000021 -0.000555 0.008584 0.121307 -0.292445 -0.270953 -0.002112 0.020696 -0.004683 0.010757 0.012060 0.028045 0.028136 0.368785 -0.153444 -0.004114 -0.014172 0.017083 0.013095 -0.018289 0.022543 0.502109 0.018387 0.783081 0.000392 0.001965 0.019780 -0.229843 0.194762 1.285732 0.013767 -0.006385 0.048215 -0.189150 -0.312167 0.086996 0.011512 -0.009467 0.011659 0.030266 0.007121 -0.001000 -0.005484 0.113235 0.547138 0.003083 -0.004264 0.002833 -0.004913 -0.029863 0.026249 -0.066510 -0.273155 -0.446690 -0.001791 0.010281 0.011780 0.038851 0.198504 -0.190403 0.008444 0.001491 -0.031044 0.269546 0.294921 0.178939 0.017462 -0.024754 0.044967 -0.037828 -0.041882 -0.079866 -0.068858 -0.223563 0.024468 0.022453 0.013553 0.006968 0.003149 0.016382 0.009257 0.014011 -0.031107 -0.188795 -0.002186 0.013732 0.000830 -0.057773 -0.221648 0.773020 -0.000185 -0.001709 0.007851 -0.269547 0.305942 0.166170 -0.011390 0.002543 0.004596 0.062195 -0.000828 0.022146 0.069917 -0.093007 0.309004 0.005648 0.001599 0.012582 -0.002065 -0.004117 0.020075 -0.074544 -0.039846 -0.108012 -0.116421 -0.058460 0.199726 0.034879 -0.092958 0.173209 -0.023813 0.064147 -0.374996 0.026037 -0.039680 -0.587848 -0.012691 0.014714 0.010162 0.010416 0.001360 -0.021203 0.119688 -0.047377 0.207001 -0.008162 0.000695 0.000653 -0.006700 0.001274 -0.004227 0.010255 0.002802 -0.004669 -0.000689 0.003761 0.011008 -0.008550 0.019039 0.043588 0.242953 0.068790 -0.196342 0.013408 0.005506 0.016037 -0.013072 0.186764 -0.028512 -0.011158 0.002795 0.005248 -0.134028 -0.132238 -0.347657 -0.025734 -0.006323 0.008147 0.172738 -0.076367 -0.265088 0.019343 -0.037773 0.051973 0.009101 0.005559 -0.005940 -0.115160 0.017698 -0.466189 -0.039210 0.120679 -0.843384 -0.032817 -0.003342 -0.222124 -0.016167 -0.124248 -0.523379 -0.001166 -0.018536 0.019379 0.056575 -0.004745 -0.697526 -0.013509 -0.001858 0.009105 0.002643 0.010019 0.004332 -0.010540 -0.013834 0.025756 0.008812 -0.007514 0.017027 0.012085 0.005185 0.020088 -0.003951 -0.003399 0.005984 0.006578 0.018959 0.020176 -0.187805 0.071529 -0.159275 0.000797 0.009872 0.025869 -0.000057 0.008072 0.012215 -0.020644 -0.006264 -0.023738 -0.006915 -0.003166 0.003438 -0.013041 -0.005720 0.001741 -0.471261 0.267859 0.438712 -0.001757 0.007324 -0.005322 0.346768 -0.216680 0.293698 0.002980 -0.000799 0.008028 0.119943 -0.292273 -0.271019 -0.007464 0.010276 -0.006051 0.013151 0.018653 0.029549 0.028300 0.368937 -0.154427 -0.000586 -0.013055 0.019482 0.011737 -0.013330 0.025147 0.501873 0.017759 0.781425 -0.000825 0.004387 0.017939 -0.229993 0.194364 1.284623 0.013517 -0.004691 0.041380 -0.188011 -0.310996 0.086903 0.011998 -0.008429 0.010359 0.014530 0.004668 0.000181 -0.006010 0.111564 0.546707 -0.001915 -0.004183 0.002222 -0.012502 -0.030966 0.032483 -0.066285 -0.273970 -0.444579 0.001231 0.007705 0.014144 0.038626 0.199276 -0.189084 0.009111 0.003248 -0.026387 0.270342 0.294588 0.178769 0.016691 -0.019100 0.038111 0.003456 -0.018178 0.064952 -0.069590 -0.223635 0.024568 0.018049 0.012920 0.004504 -0.002871 0.012154 0.010285 0.014571 -0.031091 -0.187675 -0.003493 0.013262 0.000264 -0.057310 -0.221081 0.773410 0.002206 -0.000682 0.006853 -0.270705 0.304715 0.166148 -0.012848 0.002638 0.005228 0.038025 -0.001737 0.023771 0.070322 -0.091454 0.309200 0.007614 0.000668 0.010650 -0.001385 0.003792 0.023097 -0.106442 -0.064523 -0.280623 -0.116350 -0.058712 0.198882 0.034916 -0.093252 0.172992 -0.025413 0.063867 -0.372226 0.027410 -0.039564 -0.585790 -0.003145 0.016002 0.001705 0.010039 0.001205 -0.009960 0.119806 -0.047575 0.206713 -0.006519 -0.003332 0.005564 -0.013764 0.001150 0.001503 0.006418 0.000878 -0.001799 -0.004070 0.002375 0.001218 -0.006860 0.007070 0.041765 0.243624 0.068843 -0.197472 0.001396 0.003759 0.004032 -0.012874 0.187215 -0.028739 -0.002189 0.002262 0.012607 -0.134063 -0.134514 -0.351304 -0.009776 -0.009065 -0.001121 0.172541 -0.076823 -0.263441 0.020739 -0.037460 0.053111 0.011101 0.004432 0.003184 -0.114516 0.017912 -0.464931 -0.039473 0.120960 -0.843253 -0.033612 -0.002925 -0.221230 -0.016322 -0.124527 -0.523412 0.007653 -0.018544 0.019681 0.056951 -0.004628 -0.699222 -0.006455 0.004778 0.009090 0.005281 0.008797 0.007669 -0.004644 -0.015029 0.020470 0.008048 -0.017450 0.005001 0.014242 0.004516 0.015309 -0.003592 0.001640 0.011434 0.012476 0.012019 0.016031 -0.188651 0.073295 -0.159252 -0.000389 0.009000 0.023949 0.006323 0.004863 0.014626 -0.025075 -0.002329 -0.002548 0.004234 -0.005282 0.005235 -0.011315 0.005196 0.011722 -0.470983 0.268355 0.433154 0.003827 0.011248 -0.004584 0.347374 -0.217195 0.292132 0.008280 -0.001505 0.008504 0.120765 -0.292856 -0.271039 -0.013597 -0.004885 -0.004184 0.011981 0.025308 0.025655 0.028650 0.368792 -0.155406 0.005777 -0.012229 0.019167 0.010423 -0.012242 0.026946 0.501143 0.017202 0.783497 -0.003826 0.005627 0.009939 -0.229711 0.193801 1.284995 0.011065 -0.005264 0.029850 -0.188815 -0.310974 0.086934 0.009438 -0.006279 0.012270 -0.005058 0.004296 0.006821 -0.006718 0.112750 0.546349 -0.008829 -0.005093 -0.002745 -0.022230 -0.027644 0.032097 -0.065997 -0.275113 -0.441239 0.006612 0.003289 0.011508 0.038272 0.200166 -0.187343 0.012010 0.005309 -0.020919 0.269605 0.295138 0.178614 0.014724 -0.012309 0.033552 0.052190 0.014285 0.243322 -0.070233 -0.223191 0.024782 0.015197 0.015452 0.003169 -0.013265 0.009071 0.014328 0.015614 -0.031172 -0.186460 -0.006236 0.011466 -0.000479 -0.056269 -0.220297 0.773175 0.006010 0.001456 0.005530 -0.269958 0.304778 0.166032 -0.015964 0.004496 0.006386 0.001953 -0.006586 0.025701 0.071061 -0.092425 0.309157 0.008869 0.001008 0.000402 -0.000840 0.017469 0.023260 -0.098573 -0.059971 -0.248022 -0.116359 -0.058656 0.198667 0.034985 -0.093722 0.173126 -0.025780 0.063846 -0.371515 0.027665 -0.039489 -0.585625 -0.000177 0.014592 -0.003759 0.010160 0.000395 -0.005980 0.119884 -0.047441 0.206729 -0.005409 -0.003657 0.006443 -0.015669 0.002276 0.002984 0.005029 0.000544 -0.001163 -0.004615 0.002110 -0.001074 -0.005747 0.004233 0.040149 0.243157 0.069240 -0.197522 -0.001681 0.003327 0.001596 -0.012896 0.188176 -0.028360 -0.000163 0.002133 0.014185 -0.133734 -0.135285 -0.352323 -0.003594 -0.009386 -0.001536 0.172096 -0.077181 -0.263275 0.020976 -0.037140 0.052956 0.012003 0.004070 0.005202 -0.113844 0.018024 -0.464608 -0.039680 0.121109 -0.842875 -0.033693 -0.002872 -0.220563 -0.016417 -0.124566 -0.523888 0.009420 -0.017439 0.019302 0.056980 -0.004506 -0.699610 -0.003707 0.006604 0.008830 0.005402 0.008104 0.008195 -0.003542 -0.014677 0.018630 0.007496 -0.019493 0.002433 0.014172 0.004541 0.013993 -0.003600 0.002689 0.012201 0.013687 0.010210 0.015219 -0.188574 0.073903 -0.159324 -0.001191 0.008180 0.022841 0.007818 0.003503 0.014604 -0.024225 -0.001472 0.004024 0.006967 -0.005621 0.005273 -0.010767 0.007991 0.013882 -0.471837 0.268446 0.431171 0.003389 0.010759 -0.002027 0.347567 -0.218616 0.292076 0.010061 -0.002036 0.008664 0.120499 -0.292572 -0.271186 -0.016025 -0.008972 -0.003516 0.012609 0.026363 0.023868 0.028723 0.368328 -0.157856 0.007592 -0.013884 0.019441 0.010375 -0.014758 0.029093 0.501794 0.016816 0.783877 -0.003709 0.005492 0.008354 -0.229694 0.194061 1.284596 0.010232 -0.005430 0.027176 -0.188425 -0.310773 0.086861 0.008952 -0.006190 0.013049 -0.010951 0.002887 0.009092 -0.007166 0.113372 0.546740 -0.011174 -0.005289 -0.005124 -0.024396 -0.026141 0.032839 -0.066363 -0.275406 -0.440471 0.008257 0.002631 0.011264 0.037997 0.201785 -0.187144 0.012215 0.004817 -0.019687 0.268643 0.295015 0.178460 0.013405 -0.010248 0.030403 0.046740 0.010903 0.219457 -0.070169 -0.222647 0.024667 0.014791 0.016681 0.001444 -0.015907 0.011509 0.015418 0.016472 -0.030842 -0.186095 -0.006677 0.011108 -0.001240 -0.055890 -0.220374 0.773192 0.007348 0.001000 0.006447 -0.269027 0.304762 0.165838 -0.015473 0.006569 0.006521 -0.006566 -0.006409 0.025907 0.070943 -0.092863 0.309319 0.007938 0.001016 -0.004483 -0.001352 0.021902 0.023152 -0.074864 -0.046136 -0.145862 -0.116318 -0.058902 0.197858 0.034876 -0.093699 0.172588 -0.027167 0.063884 -0.369602 0.028598 -0.039844 -0.583673 0.008953 0.012407 -0.008848 0.009438 -0.001291 0.004773 0.119687 -0.047693 0.206230 -0.003856 -0.007063 0.009821 -0.020186 0.001516 0.006812 0.003209 0.000541 0.002242 -0.005726 0.001204 -0.007481 -0.003133 -0.004099 0.038715 0.244415 0.068929 -0.198237 -0.009894 0.000935 -0.007848 -0.012766 0.187616 -0.029175 0.006353 0.001842 0.019477 -0.134697 -0.136741 -0.353959 0.015295 -0.011053 -0.005986 0.172565 -0.077352 -0.261988 0.022005 -0.036950 0.054361 0.012133 0.002699 0.012726 -0.113825 0.018019 -0.463604 -0.039872 0.121495 -0.842726 -0.034527 -0.002652 -0.220705 -0.016562 -0.124954 -0.524737 0.015149 -0.016085 0.019825 0.057179 -0.004614 -0.701072 0.002082 0.010748 0.009293 0.006845 0.006128 0.009888 0.000219 -0.014585 0.014838 0.005823 -0.023030 -0.006255 0.012880 0.003492 0.009993 -0.003490 0.006288 0.015416 0.016925 0.003115 0.013931 -0.189680 0.075189 -0.159056 -0.002865 0.005309 0.020473 0.011800 0.001846 0.016390 -0.023426 0.002421 0.022728 0.014568 -0.006154 0.007506 -0.008674 0.016181 0.020659 -0.469727 0.269136 0.427345 0.006793 0.012737 0.001970 0.348055 -0.216456 0.290665 0.013245 -0.003031 0.007882 0.120719 -0.292694 -0.271091 -0.021002 -0.020335 -0.001644 0.011244 0.027994 0.021297 0.028601 0.368879 -0.155910 0.009661 -0.013319 0.015484 0.008322 -0.010649 0.030495 0.499183 0.016408 0.785838 -0.005854 0.007136 0.002963 -0.229686 0.193237 1.284456 0.012211 -0.005576 0.018384 -0.188848 -0.310663 0.086997 0.008223 -0.003555 0.014606 -0.026716 0.002346 0.011384 -0.007379 0.112859 0.546134 -0.016624 -0.004132 -0.004667 -0.028879 -0.018671 0.030752 -0.065618 -0.276956 -0.436982 0.011892 -0.000738 0.009301 0.037375 0.200092 -0.184976 0.011381 0.006553 -0.010384 0.269761 0.294936 0.178552 0.013162 -0.002820 0.023906 0.034097 0.007529 0.106605 -0.070937 -0.222808 0.025127 0.010336 0.015631 -0.002340 -0.023556 0.007855 0.017223 0.016710 -0.031056 -0.184989 -0.007222 0.009678 -0.001182 -0.055077 -0.219448 0.774352 0.007936 0.002759 0.007367 -0.270355 0.304552 0.165957 -0.017248 0.006103 0.007452 -0.034138 -0.009341 0.024988 0.071585 -0.092298 0.309152 0.009434 0.000059 -0.012117 -0.000526 0.029166 0.023923 -0.026882 -0.016965 0.059806 -0.116221 -0.059148 0.196634 0.034960 -0.094539 0.172220 -0.029549 0.063990 -0.365337 0.030437 -0.040346 -0.580501 0.025430 0.007442 -0.026875 0.006605 -0.004512 0.024506 0.119771 -0.047816 0.206081 0.000268 -0.013009 0.016869 -0.029249 0.000773 0.014642 -0.002933 -0.000578 0.008116 -0.008504 -0.000460 -0.020308 0.002852 -0.020187 0.033198 0.245011 0.069360 -0.199105 -0.026287 -0.002606 -0.024250 -0.012425 0.189168 -0.029208 0.019376 0.002035 0.029942 -0.134443 -0.140259 -0.357604 0.053436 -0.013914 -0.015350 0.171690 -0.078498 -0.259416 0.024006 -0.036182 0.056566 0.013068 0.000110 0.027572 -0.112589 0.018155 -0.461375 -0.040345 0.122125 -0.841589 -0.035630 -0.002159 -0.218130 -0.016775 -0.125558 -0.525680 0.026714 -0.013073 0.019849 0.057795 -0.004642 -0.703712 0.015432 0.020749 0.009135 0.008752 0.002076 0.013838 0.007813 -0.014026 0.005642 0.001922 -0.030799 -0.023323 0.012881 0.002818 0.002204 -0.002736 0.013633 0.021481 0.023745 -0.011687 0.010747 -0.190962 0.077967 -0.158276 -0.005117 -0.000798 0.015239 0.021076 -0.001834 0.018630 -0.023423 0.010219 0.059278 0.030151 -0.006819 0.010217 -0.003504 0.032481 0.035200 -0.471032 0.270430 0.420233 0.011888 0.017596 0.008106 0.349609 -0.219177 0.288499 0.021197 -0.003847 0.007894 0.120086 -0.293258 -0.270810 -0.029520 -0.042562 0.002479 0.012067 0.033024 0.011254 0.028602 0.368360 -0.159859 0.014980 -0.015168 0.014662 0.003177 -0.009410 0.029381 0.499624 0.015084 0.791062 -0.009155 0.010100 -0.011217 -0.229699 0.192870 1.283926 0.009463 -0.004650 -0.001101 -0.188127 -0.311077 0.087311 0.006989 0.000859 0.015164 -0.060676 -0.002308 0.020969 -0.008185 0.113185 0.546639 -0.027261 -0.002380 -0.007962 -0.038908 -0.008364 0.029852 -0.065490 -0.279770 -0.429550 0.018504 -0.007216 0.008804 0.036234 0.203552 -0.180660 0.007993 0.012239 0.007816 0.268627 0.295433 0.178851 0.009482 0.011480 0.009279 0.000371 -0.012191 -0.101338 -0.071808 -0.222096 0.025911 0.001021 0.015937 -0.007853 -0.036720 0.006024 0.021043 0.019030 -0.030921 -0.182262 -0.009438 0.007281 -0.002694 -0.053109 -0.218649 0.776112 0.008534 0.002395 0.006659 -0.269233 0.305066 0.166162 -0.016250 0.010981 0.009510 -0.084656 -0.011127 0.026323 0.072447 -0.092355 0.309997 0.012069 -0.004143 -0.030778 0.001657 0.046083 0.024614 -0.050005 -0.031491 -0.035144 -0.115825 -0.059178 0.198375 0.035332 -0.094463 0.173619 -0.027825 0.063580 -0.365305 0.029732 -0.039697 -0.581088 0.017821 0.009501 -0.017219 0.011670 -0.001518 0.014239 0.120188 -0.047792 0.207238 -0.000737 -0.010257 0.014652 -0.024552 0.001566 0.011580 0.002478 0.000733 0.007688 -0.006502 0.000666 -0.012114 0.000353 -0.012885 0.035773 0.244948 0.069732 -0.197780 -0.018437 -0.000634 -0.016258 -0.012097 0.188874 -0.027782 0.013235 0.001786 0.026124 -0.134575 -0.138531 -0.355923 0.035876 -0.012777 -0.010060 0.172904 -0.078451 -0.260169 0.023480 -0.036431 0.055942 0.013824 0.001068 0.021099 -0.112046 0.018267 -0.461671 -0.039888 0.121851 -0.840975 -0.034534 -0.002374 -0.218331 -0.016346 -0.125435 -0.525172 0.021247 -0.014144 0.019408 0.058108 -0.004449 -0.703170 0.010699 0.015885 0.009276 0.006608 0.003930 0.013147 0.004495 -0.014140 0.008006 0.004024 -0.027410 -0.014141 0.013614 0.002925 0.007105 -0.002713 0.009488 0.019143 0.021244 -0.005883 0.013813 -0.189798 0.076571 -0.157935 -0.003831 0.002491 0.019108 0.017809 -0.000369 0.018169 -0.024179 0.006985 0.044739 0.023332 -0.006606 0.009673 -0.005683 0.024387 0.029804 -0.469339 0.269941 0.423914 0.010210 0.015283 0.001438 0.349510 -0.217809 0.290957 0.017735 -0.004877 0.007857 0.122104 -0.292929 -0.270448 -0.026314 -0.035225 0.002673 0.007599 0.028496 0.008110 0.029167 0.368061 -0.157759 0.015551 -0.014264 0.011004 0.004359 -0.012806 0.027671 0.499027 0.015358 0.791224 -0.009283 0.007206 -0.009393 -0.229357 0.192899 1.285886 0.007639 -0.005985 0.003068 -0.189429 -0.310943 0.087715 0.004884 -0.002620 0.017361 -0.047045 -0.001240 0.021079 -0.008002 0.114592 0.547290 -0.024104 -0.003901 -0.010532 -0.033770 -0.010979 0.025335 -0.065350 -0.279178 -0.431522 0.015055 -0.005826 0.004252 0.036510 0.201962 -0.181839 0.007435 0.010418 0.003912 0.269247 0.295153 0.179296 0.009434 0.008836 0.016724 0.017578 -0.000401 -0.010894 -0.070802 -0.221746 0.026173 0.004294 0.014026 -0.008021 -0.031514 0.009497 0.019788 0.018517 -0.030767 -0.182753 -0.008999 0.007784 -0.000953 -0.053052 -0.218978 0.777208 0.007887 0.002217 0.004902 -0.269114 0.304891 0.166526 -0.014916 0.011931 0.009414 -0.066509 -0.009991 0.022822 0.072249 -0.093813 0.309950 0.008526 -0.001279 -0.028957 -0.001062 0.041638 0.022042 -0.055748 -0.034871 -0.059380 -0.115930 -0.059109 0.198414 0.035208 -0.094032 0.173432 -0.027666 0.063723 -0.366189 0.029506 -0.039815 -0.581348 0.015900 0.009645 -0.014857 0.011083 -0.000653 0.010834 0.120109 -0.047772 0.207020 -0.001693 -0.009870 0.013716 -0.023483 0.001357 0.010663 0.003243 0.000958 0.007083 -0.006149 0.000877 -0.010579 -0.000430 -0.010852 0.036703 0.245133 0.069436 -0.197743 -0.016125 -0.000682 -0.014421 -0.012155 0.188268 -0.028143 0.011676 0.001896 0.024877 -0.134886 -0.137923 -0.355261 0.031479 -0.012271 -0.008735 0.173181 -0.078091 -0.260379 0.023269 -0.036605 0.055944 0.013179 0.001414 0.019300 -0.112678 0.018192 -0.461907 -0.039796 0.121841 -0.841195 -0.034565 -0.002416 -0.218915 -0.016308 -0.125367 -0.525226 0.019936 -0.014635 0.019958 0.058088 -0.004547 -0.702844 0.008577 0.014594 0.009608 0.006431 0.004603 0.012409 0.003673 -0.014308 0.009897 0.004162 -0.026642 -0.012232 0.013537 0.003007 0.007922 -0.003229 0.009054 0.018813 0.020621 -0.003623 0.014316 -0.189853 0.076151 -0.158046 -0.003870 0.003836 0.019590 0.016021 0.000176 0.019019 -0.024300 0.006050 0.040063 0.021218 -0.006309 0.009450 -0.006118 0.022410 0.028023 -0.468860 0.269805 0.425151 0.009647 0.014824 0.000935 0.349127 -0.216854 0.290878 0.016744 -0.004542 0.007954 0.121401 -0.292738 -0.270309 -0.025058 -0.031932 0.001796 0.007109 0.027094 0.009602 0.028774 0.368418 -0.156236 0.014234 -0.013854 0.010873 0.004806 -0.011206 0.027176 0.498648 0.015685 0.790424 -0.008791 0.007370 -0.007159 -0.229317 0.192950 1.285481 0.008039 -0.007111 0.005166 -0.188854 -0.310989 0.087729 0.005693 -0.002998 0.016718 -0.042645 -0.000501 0.019811 -0.007426 0.113493 0.547092 -0.022221 -0.003500 -0.009929 -0.033306 -0.011884 0.024693 -0.065161 -0.278676 -0.432495 0.014608 -0.006147 0.003917 0.036675 0.201005 -0.182183 0.007597 0.008949 0.001258 0.269930 0.294939 0.179344 0.011120 0.006261 0.018964 0.024097 0.003118 0.013906 -0.070882 -0.222133 0.026229 0.005208 0.013609 -0.006753 -0.029491 0.008042 0.019044 0.017871 -0.030902 -0.183107 -0.009194 0.007397 -0.001061 -0.053472 -0.219005 0.777041 0.007994 0.002662 0.004900 -0.269880 0.304898 0.166647 -0.016570 0.011002 0.008565 -0.059489 -0.009209 0.022306 0.072228 -0.092803 0.309881 0.009170 -0.000883 -0.024933 -0.000353 0.039249 0.021029 -0.050062 -0.030744 -0.035521 -0.116204 -0.059015 0.198061 0.035181 -0.094164 0.173266 -0.027654 0.063887 -0.367171 0.029267 -0.039948 -0.581944 0.012630 0.007687 -0.013853 0.009238 -0.001600 0.011040 0.120083 -0.047743 0.206841 -0.001236 -0.007552 0.011458 -0.019465 0.001274 0.008682 0.002668 0.001301 0.005729 -0.006171 0.001199 -0.010336 0.000320 -0.010038 0.034300 0.244326 0.069379 -0.196878 -0.014992 -0.000383 -0.013968 -0.012487 0.189094 -0.027912 0.010277 0.002273 0.023112 -0.134045 -0.138032 -0.353898 0.026717 -0.011695 -0.008099 0.172051 -0.077992 -0.260446 0.022773 -0.036414 0.055856 0.012136 0.001301 0.017246 -0.112864 0.018164 -0.462217 -0.039926 0.121676 -0.841395 -0.034502 -0.002456 -0.218001 -0.016434 -0.125067 -0.524785 0.016790 -0.013792 0.019251 0.057851 -0.004470 -0.701449 0.006513 0.013766 0.009567 0.005763 0.004266 0.011234 0.002261 -0.012798 0.010736 0.004904 -0.023462 -0.011028 0.012265 0.003499 0.007791 -0.002476 0.007716 0.017256 0.018163 -0.002667 0.013863 -0.189797 0.076080 -0.158045 -0.003640 0.002942 0.017874 0.014483 0.000689 0.017659 -0.020028 0.005772 0.036058 0.019340 -0.006055 0.008849 -0.005925 0.019222 0.025887 -0.471698 0.269734 0.423958 0.007823 0.013683 0.004562 0.349126 -0.219954 0.290439 0.015217 -0.004077 0.008449 0.119974 -0.292813 -0.271073 -0.023979 -0.028795 0.001833 0.009044 0.025856 0.012897 0.028864 0.368422 -0.160488 0.013630 -0.014095 0.014046 0.005920 -0.011257 0.028376 0.501114 0.015865 0.787776 -0.007087 0.007297 -0.003866 -0.229572 0.193142 1.283990 0.009767 -0.006265 0.009782 -0.187597 -0.310638 0.087115 0.007728 -0.003269 0.015392 -0.037322 0.000331 0.017300 -0.007786 0.113683 0.546826 -0.021921 -0.003061 -0.007795 -0.031466 -0.012604 0.026814 -0.065943 -0.278514 -0.433677 0.012954 -0.004820 0.006306 0.036972 0.203795 -0.182993 0.008445 0.009160 -0.000475 0.268497 0.295094 0.178684 0.009699 0.006339 0.018498 0.014626 -0.004588 -0.003132 -0.070870 -0.222463 0.025399 0.005844 0.014321 -0.005630 -0.026810 0.007198 0.018701 0.018513 -0.030942 -0.183551 -0.007203 0.007715 -0.000395 -0.054096 -0.219163 0.775058 0.006473 0.003085 0.007075 -0.268714 0.304594 0.166101 -0.015591 0.009983 0.007991 -0.049926 -0.009040 0.023749 0.071908 -0.093026 0.309888 0.007599 -0.001164 -0.020997 -0.000245 0.036152 0.022398 -0.031808 -0.017868 0.045661 -0.115972 -0.059124 0.198596 0.035332 -0.093805 0.172811 -0.026746 0.064176 -0.366999 0.029040 -0.040445 -0.581577 0.002330 0.002805 -0.007084 0.005389 -0.002376 0.008242 0.120035 -0.048031 0.206881 -0.000223 -0.003731 0.003798 -0.010242 0.000985 0.004560 0.004497 0.003152 0.004993 -0.005451 0.001463 -0.005492 0.003866 -0.008299 0.028921 0.246426 0.068753 -0.195068 -0.010360 -0.001009 -0.010459 -0.012309 0.187087 -0.028795 0.005297 0.002186 0.017368 -0.135512 -0.136679 -0.350512 0.011271 -0.009867 -0.005296 0.173749 -0.077544 -0.261398 0.022324 -0.036385 0.056570 0.011676 0.000491 0.013402 -0.113358 0.017942 -0.462249 -0.039544 0.121758 -0.841353 -0.034406 -0.002838 -0.220647 -0.016159 -0.125292 -0.525605 0.008218 -0.011614 0.018827 0.057887 -0.004662 -0.701031 0.002205 0.011533 0.010214 0.004278 0.003985 0.009418 -0.001434 -0.009368 0.012323 0.008286 -0.016013 -0.006337 0.007882 0.005116 0.008183 -0.000920 0.004060 0.014319 0.014936 -0.001631 0.013839 -0.189960 0.075372 -0.157083 -0.002303 -0.000600 0.013671 0.010435 0.003133 0.013393 -0.010607 0.004042 0.026223 0.013507 -0.003566 0.008308 -0.004878 0.008736 0.019454 -0.468138 0.269353 0.425507 0.006500 0.014515 0.008211 0.349125 -0.213265 0.291625 0.015380 -0.003698 0.010193 0.121405 -0.292897 -0.271252 -0.021884 -0.024235 0.003209 0.009199 0.020604 0.013408 0.029324 0.368877 -0.154785 0.016476 -0.015521 0.009382 0.007142 -0.011902 0.026550 0.498120 0.015911 0.788887 -0.005691 0.007481 -0.003414 -0.229426 0.192957 1.284712 0.010434 -0.005444 0.011472 -0.188758 -0.310760 0.086965 0.010647 -0.003135 0.016869 -0.029370 0.001775 0.016891 -0.007622 0.113785 0.546996 -0.022259 -0.002584 -0.005648 -0.030297 -0.012051 0.028765 -0.065272 -0.278740 -0.433447 0.011712 -0.004078 0.006747 0.037196 0.197505 -0.182005 0.006653 0.008315 -0.001488 0.269834 0.294886 0.178528 0.009787 0.008683 0.021057 -0.002521 -0.017396 -0.081402 -0.070651 -0.222516 0.025363 0.004061 0.014996 -0.005265 -0.026062 0.007228 0.018479 0.017870 -0.030936 -0.183677 -0.004666 0.006793 0.003356 -0.054477 -0.219374 0.776643 0.003171 0.003471 0.010063 -0.269748 0.304351 0.165952 -0.016769 0.009681 0.007927 -0.037987 -0.009236 0.020894 0.071995 -0.093346 0.309418 0.006274 -0.002016 -0.018053 0.002624 0.035936 0.023377 0.005155 0.008903 0.217079 -0.116149 -0.059044 0.199769 0.035221 -0.093927 0.173005 -0.024842 0.065065 -0.367249 0.028095 -0.041123 -0.581223 -0.016903 -0.005249 0.004190 0.000168 -0.003943 0.008768 0.119834 -0.048126 0.207944 0.002024 0.004388 -0.001848 0.007929 0.000387 -0.002757 0.007969 0.007243 0.005599 -0.004650 0.003555 0.003346 0.011447 -0.003435 0.018597 0.246686 0.069322 -0.191107 -0.000049 -0.001669 -0.002371 -0.012622 0.187942 -0.027992 -0.006006 0.002354 0.006452 -0.135504 -0.134619 -0.344169 -0.020155 -0.005396 -0.000558 0.173421 -0.077840 -0.263332 0.020322 -0.035752 0.057212 0.010036 -0.000452 0.005866 -0.113291 0.017883 -0.462253 -0.039391 0.121726 -0.840502 -0.034194 -0.003184 -0.219605 -0.016114 -0.125097 -0.526713 -0.008849 -0.007045 0.017480 0.057755 -0.004461 -0.699752 -0.006015 0.008349 0.011350 0.001241 0.004377 0.005820 -0.009520 -0.003850 0.015296 0.015597 0.000595 0.002104 -0.001508 0.008584 0.009256 0.000546 -0.002776 0.006257 0.008397 0.001302 0.014630 -0.189662 0.074156 -0.155936 -0.000932 -0.006683 0.005870 0.000894 0.007810 0.006819 0.007686 0.001003 0.006568 0.002271 0.000507 0.007331 -0.001816 -0.011875 0.007325 -0.469254 0.269077 0.429668 -0.003270 0.009537 0.016705 0.349115 -0.213780 0.293682 0.007193 -0.001884 0.010424 0.120955 -0.293367 -0.271999 -0.012826 -0.003704 0.008004 0.005920 0.003600 0.010859 0.028617 0.368572 -0.158217 0.013350 -0.017432 0.011317 0.008514 -0.012783 0.018076 0.499047 0.016720 0.790297 0.001935 0.008111 0.000851 -0.229704 0.193665 1.284368 0.010642 -0.001947 0.017370 -0.188430 -0.311853 0.086508 0.014240 -0.004207 0.014648 -0.007295 0.005317 0.010946 -0.007328 0.113674 0.547198 -0.015410 0.000336 0.002637 -0.017995 -0.005714 0.023807 -0.065784 -0.278882 -0.434224 0.003088 -0.002152 0.010151 0.037621 0.198239 -0.180270 0.001300 0.004985 -0.002806 0.270449 0.295592 0.178242 0.005376 0.007786 0.024679 -0.049864 -0.047809 -0.253627 -0.070332 -0.222451 0.024928 0.004076 0.013241 -0.001826 -0.018498 0.005276 0.014543 0.017856 -0.030979 -0.182945 0.005970 0.003118 0.007464 -0.055890 -0.219938 0.778911 -0.006312 0.004763 0.020029 -0.270658 0.305576 0.165741 -0.014364 0.009151 0.007908 0.012771 -0.006014 0.015499 0.071425 -0.093131 0.309411 -0.000485 -0.005053 -0.005489 0.009721 0.016838 0.019965 -0.003913 0.002459 0.175487 -0.116235 -0.058956 0.199598 0.035030 -0.094304 0.173397 -0.025464 0.064966 -0.367609 0.028288 -0.040857 -0.581613 -0.010157 -0.002046 -0.000916 0.003518 -0.003302 0.011504 0.119717 -0.047945 0.207722 0.000882 0.000654 0.001936 0.000884 0.000523 0.000562 0.007048 0.006554 0.006596 -0.005138 0.003278 0.001415 0.009766 -0.004580 0.021658 0.245416 0.069668 -0.191890 -0.002850 -0.001429 -0.004379 -0.012744 0.189033 -0.027494 -0.004219 0.002520 0.009304 -0.134470 -0.135178 -0.345853 -0.013523 -0.006251 -0.002116 0.172158 -0.078065 -0.262709 0.020570 -0.035815 0.056826 0.010283 0.000279 0.008715 -0.112791 0.018008 -0.462160 -0.039698 0.121736 -0.840512 -0.034549 -0.002918 -0.217881 -0.016328 -0.125136 -0.525768 -0.003686 -0.008930 0.016877 0.057582 -0.004400 -0.700413 -0.003930 0.009753 0.010669 0.002563 0.004630 0.007690 -0.007622 -0.005875 0.013800 0.013879 -0.003436 -0.000274 0.000622 0.007910 0.009080 -0.000443 -0.000758 0.007889 0.010014 0.000930 0.014272 -0.189451 0.074700 -0.156352 -0.001570 -0.005265 0.008116 0.002979 0.006654 0.008379 0.003015 0.002422 0.012371 0.005120 -0.000741 0.007361 -0.002500 -0.006896 0.010414 -0.470677 0.268931 0.430641 -0.004910 0.008650 0.015806 0.348754 -0.216624 0.293961 0.004856 -0.001244 0.007997 0.120228 -0.292887 -0.271663 -0.011415 -0.001814 0.008130 0.003448 0.004948 0.009446 0.028042 0.368156 -0.160781 0.009523 -0.016564 0.012766 0.003607 -0.009764 0.014640 0.499956 0.016986 0.790862 0.003259 0.007790 0.001120 -0.229654 0.194271 1.284761 0.009980 -0.001374 0.017559 -0.188038 -0.311331 0.086724 0.012526 -0.003583 0.012658 -0.007261 0.002538 0.008836 -0.007249 0.114138 0.547473 -0.010821 0.001299 0.004367 -0.012447 -0.003064 0.020880 -0.066033 -0.278517 -0.434411 0.000632 -0.002040 0.010451 0.037696 0.200837 -0.179684 0.001261 0.003953 -0.002581 0.268868 0.295229 0.178590 0.003289 0.003788 0.020828 -0.044867 -0.042831 -0.216497 -0.070568 -0.222149 0.025108 0.003524 0.012725 -0.000319 -0.016856 0.004280 0.012470 0.017908 -0.031220 -0.182614 0.006623 0.002479 0.007413 -0.055996 -0.220293 0.778527 -0.005562 0.004702 0.020901 -0.269451 0.305340 0.165974 -0.012138 0.007754 0.007676 0.012846 -0.001179 0.013471 0.071354 -0.093369 0.309857 -0.000571 -0.005122 -0.002650 0.008282 0.012584 0.017608 -0.008321 -0.000509 0.150537 -0.116190 -0.059013 0.199814 0.035012 -0.094012 0.173100 -0.025286 0.065093 -0.367267 0.028122 -0.040894 -0.581290 -0.013316 -0.003932 0.002516 0.001175 -0.003191 0.009097 0.119645 -0.048044 0.207798 0.001442 0.002657 -0.000174 0.004984 0.000349 -0.000993 0.007157 0.006875 0.005700 -0.004620 0.003464 0.003406 0.010228 -0.003969 0.019370 0.246572 0.069581 -0.191534 -0.001280 -0.001448 -0.003075 -0.012671 0.188009 -0.027994 -0.005664 0.002301 0.007627 -0.135600 -0.134544 -0.345205 -0.017485 -0.005656 -0.001550 0.173263 -0.077925 -0.263134 0.020444 -0.035771 0.056925 0.009141 -0.000062 0.006760 -0.112991 0.018040 -0.462326 -0.039657 0.121802 -0.840669 -0.034581 -0.003002 -0.219396 -0.016330 -0.125252 -0.526449 -0.006603 -0.007761 0.015995 0.057600 -0.004396 -0.700859 -0.005537 0.008495 0.010473 0.000991 0.003777 0.005542 -0.008651 -0.004341 0.013912 0.013897 -0.000610 0.000600 -0.000209 0.008318 0.009457 0.000109 -0.001649 0.006906 0.008730 0.001569 0.014290 -0.189730 0.074511 -0.155847 -0.001107 -0.005669 0.007539 0.001819 0.006941 0.007809 0.005288 0.001274 0.009306 0.003490 0.000125 0.007514 -0.002154 -0.009596 0.008970 -0.468263 0.268898 0.431880 -0.004733 0.007883 0.015848 0.348828 -0.212810 0.294341 0.004572 -0.001081 0.008230 0.121833 -0.293262 -0.271575 -0.010251 0.000963 0.008010 0.004364 0.002532 0.010142 0.028225 0.368473 -0.156855 0.008334 -0.016455 0.009544 0.006020 -0.010281 0.015392 0.497676 0.016952 0.792328 0.002754 0.007299 0.001731 -0.229671 0.193840 1.285757 0.009709 -0.001119 0.017374 -0.189664 -0.311724 0.086855 0.012929 -0.003523 0.012462 -0.004746 0.003613 0.008959 -0.007339 0.114635 0.547520 -0.009069 0.001401 0.004820 -0.012785 -0.003654 0.021996 -0.065638 -0.278499 -0.433855 0.001567 -0.001125 0.010991 0.037743 0.197366 -0.179361 0.000985 0.003633 -0.002891 0.269992 0.295598 0.178656 0.004452 0.004066 0.021847 -0.037482 -0.039777 -0.191001 -0.070598 -0.222047 0.025371 0.003329 0.012720 -0.000198 -0.015795 0.003901 0.012794 0.017260 -0.031077 -0.182462 0.006447 0.002476 0.007783 -0.056136 -0.219938 0.779722 -0.006530 0.004573 0.020294 -0.270574 0.305730 0.166018 -0.012463 0.007451 0.007192 0.014794 -0.003335 0.014461 0.071411 -0.093742 0.309548 -0.001533 -0.004769 -0.001455 0.008919 0.012282 0.018590 -0.021508 -0.009558 0.075494 -0.116157 -0.058990 0.200208 0.035198 -0.093741 0.172928 -0.024523 0.065508 -0.367483 0.027805 -0.041357 -0.580990 -0.021155 -0.008693 0.008002 -0.001089 -0.003568 0.008308 0.119710 -0.048207 0.207781 0.003120 0.007055 -0.003932 0.012344 0.000039 -0.003996 0.008344 0.008243 0.005009 -0.003590 0.003984 0.007242 0.012240 -0.002394 0.012295 0.247548 0.069060 -0.188984 0.003234 -0.001188 0.000705 -0.012645 0.187180 -0.027976 -0.008984 0.002207 0.003292 -0.135913 -0.133643 -0.341031 -0.030433 -0.003939 -0.000160 0.173731 -0.077401 -0.263067 0.019966 -0.035466 0.057968 0.007454 -0.000825 0.003182 -0.113512 0.017921 -0.461999 -0.039349 0.121858 -0.840233 -0.034292 -0.003255 -0.220291 -0.016096 -0.125106 -0.526355 -0.013514 -0.005689 0.015908 0.057603 -0.004406 -0.699112 -0.009096 0.006093 0.011425 -0.000589 0.003237 0.004023 -0.011069 -0.001951 0.015288 0.016146 0.005925 0.004586 -0.003758 0.009683 0.009535 0.001649 -0.004648 0.004448 0.005234 0.002423 0.014791 -0.189739 0.073901 -0.154426 0.000234 -0.007334 0.004606 -0.001401 0.007812 0.005387 0.011777 0.000365 0.002169 -0.001432 0.001661 0.007042 -0.000759 -0.017211 0.003938 -0.468007 0.268784 0.430222 -0.006351 0.006723 0.020318 0.349114 -0.210490 0.294088 0.003974 -0.000380 0.011892 0.121118 -0.292939 -0.272405 -0.008992 0.002990 0.008892 0.005689 -0.003165 0.011827 0.028764 0.368981 -0.156404 0.011916 -0.017161 0.008056 0.007424 -0.010132 0.015442 0.497737 0.017103 0.790045 0.003887 0.007271 0.003332 -0.229802 0.193856 1.283822 0.010015 -0.000408 0.019419 -0.188699 -0.311108 0.086182 0.017010 -0.003394 0.012736 0.001829 0.004730 0.009864 -0.007355 0.114573 0.547153 -0.013256 0.002684 0.005988 -0.012463 -0.004983 0.022762 -0.065796 -0.278669 -0.434998 0.000280 0.000029 0.011524 0.038112 0.195233 -0.179860 -0.000025 0.003245 -0.002742 0.269714 0.295210 0.177928 0.004189 0.007399 0.024745 -0.021560 -0.030530 -0.118320 -0.070339 -0.222415 0.024608 0.002507 0.013154 -0.000321 -0.013774 0.002757 0.013792 0.017496 -0.031049 -0.183812 0.008577 0.001652 0.010573 -0.056628 -0.220120 0.778306 -0.009812 0.004567 0.023621 -0.270059 0.304954 0.165446 -0.014709 0.007349 0.006449 0.026012 -0.001323 0.014267 0.071341 -0.093804 0.309100 -0.002721 -0.005450 0.000461 0.010916 0.008690 0.020473 -0.048299 -0.028238 -0.079449 -0.116104 -0.058978 0.201504 0.035280 -0.094172 0.173213 -0.022433 0.066356 -0.367493 0.027139 -0.042167 -0.580528 -0.033849 -0.017148 0.020920 -0.008664 -0.003962 0.007834 0.119832 -0.048326 0.208909 0.004747 0.012824 -0.013011 0.024142 0.000666 -0.009780 0.010486 0.010498 0.005078 -0.000935 0.005621 0.015697 0.016273 -0.000613 -0.002197 0.247725 0.069756 -0.184927 0.012359 -0.000944 0.008250 -0.012641 0.188372 -0.026835 -0.018076 0.001469 -0.005940 -0.135310 -0.131854 -0.334640 -0.058402 0.000398 0.001540 0.173341 -0.078034 -0.264262 0.018385 -0.034789 0.058682 0.004991 -0.001994 -0.003831 -0.112911 0.017782 -0.461896 -0.039014 0.121746 -0.838979 -0.033951 -0.003674 -0.218442 -0.015796 -0.125094 -0.527493 -0.027466 -0.001380 0.014637 0.057829 -0.004344 -0.698490 -0.015878 0.001670 0.012676 -0.004290 0.002753 0.000689 -0.015536 0.004864 0.016936 0.020845 0.020645 0.011831 -0.010698 0.012169 0.010789 0.004471 -0.010074 -0.001403 -0.001235 0.005490 0.016156 -0.189080 0.072675 -0.152537 0.002030 -0.011720 -0.001351 -0.008205 0.010643 0.001074 0.026328 -0.002034 -0.011367 -0.012306 0.004732 0.005342 0.001073 -0.033770 -0.007627 -0.469092 0.268698 0.435430 -0.013221 0.001385 0.024738 0.349530 -0.211968 0.296301 -0.005079 0.002075 0.011058 0.120334 -0.293119 -0.272993 0.001689 0.022722 0.013344 0.002361 -0.018749 0.011160 0.027782 0.368157 -0.160849 0.005794 -0.015099 0.006424 0.005890 -0.006747 0.005644 0.498971 0.017753 0.792757 0.009530 0.007556 0.006331 -0.229751 0.194619 1.283115 0.009341 0.003153 0.023348 -0.187530 -0.312428 0.085733 0.018809 -0.003905 0.008935 0.022451 0.004538 0.005299 -0.006425 0.114242 0.547536 -0.003938 0.004855 0.012819 -0.002377 -0.002803 0.017215 -0.065964 -0.279184 -0.434961 -0.009072 0.004134 0.011347 0.038409 0.196614 -0.176761 -0.003664 0.000900 -0.002370 0.269634 0.295378 0.177851 0.001344 0.004900 0.024716 0.007458 -0.006528 0.053124 -0.069721 -0.222139 0.024305 0.002045 0.010814 0.004097 -0.004630 -0.002681 0.010700 0.017641 -0.031216 -0.183393 0.016672 -0.002764 0.014945 -0.057298 -0.220999 0.780926 -0.017709 0.007019 0.028902 -0.269786 0.306275 0.165303 -0.013613 0.005080 0.003933 0.059956 0.003155 0.008776 0.070945 -0.093535 0.309152 -0.008956 -0.008662 0.011268 0.015036 -0.009317 0.015511 -0.040150 -0.022318 -0.029570 -0.116266 -0.058828 0.201049 0.035003 -0.094225 0.173517 -0.023302 0.066273 -0.367822 0.027361 -0.041795 -0.580705 -0.028064 -0.013467 0.015246 -0.002992 -0.004466 0.010931 0.119550 -0.048070 0.208608 0.003843 0.010178 -0.007998 0.016273 0.001254 -0.005997 0.009889 0.010137 0.005949 -0.002022 0.004602 0.012679 0.014742 -0.001862 0.002495 0.246670 0.069859 -0.186064 0.008826 -0.000744 0.005567 -0.012914 0.189072 -0.026812 -0.015320 0.001819 -0.002609 -0.134687 -0.132555 -0.336562 -0.049998 -0.000635 0.000293 0.172313 -0.077896 -0.263609 0.018580 -0.034884 0.058287 0.005636 -0.001084 -0.000693 -0.112854 0.017966 -0.461903 -0.039313 0.121817 -0.839480 -0.034338 -0.003237 -0.217377 -0.016065 -0.124920 -0.526418 -0.021682 -0.003450 0.014094 0.057432 -0.004202 -0.698411 -0.013640 0.003607 0.011710 -0.002497 0.003320 0.002837 -0.014177 0.002159 0.015804 0.019695 0.016154 0.008788 -0.008589 0.011519 0.010470 0.003276 -0.007899 0.000667 0.001439 0.004627 0.015888 -0.189155 0.073307 -0.153232 0.001043 -0.010500 0.000360 -0.006066 0.009942 0.002442 0.021180 -0.000750 -0.006686 -0.009192 0.003471 0.005610 0.000578 -0.028294 -0.003493 -0.469867 0.268868 0.435079 -0.014130 -0.000618 0.023104 0.349163 -0.213665 0.296404 -0.005654 0.002440 0.008690 0.120080 -0.293037 -0.272573 0.001602 0.020941 0.012593 0.001273 -0.015861 0.008084 0.027826 0.368507 -0.162043 0.004273 -0.013957 0.007248 0.004675 -0.005638 0.004248 0.499222 0.018007 0.791971 0.009312 0.007345 0.006309 -0.229856 0.195070 1.284113 0.008300 0.003196 0.022063 -0.187782 -0.311393 0.086063 0.016637 -0.003306 0.007482 0.019411 0.004555 0.004062 -0.006947 0.114848 0.547513 -0.003365 0.004794 0.012571 -0.000032 0.000182 0.014542 -0.066117 -0.278859 -0.435206 -0.009630 0.003705 0.011106 0.038262 0.198294 -0.176911 -0.002738 -0.000394 -0.002287 0.269170 0.295586 0.178236 0.000694 0.003448 0.020783 -0.001976 -0.014498 0.011167 -0.070350 -0.222386 0.024549 0.001920 0.010697 0.004744 -0.005006 -0.002196 0.009187 0.017502 -0.031298 -0.182593 0.015712 -0.002594 0.013402 -0.057345 -0.221030 0.780021 -0.017108 0.005130 0.026758 -0.269788 0.305575 0.165671 -0.010831 0.003838 0.002867 0.057070 0.004236 0.006843 0.071161 -0.093863 0.309615 -0.008263 -0.008038 0.011650 0.013473 -0.011631 0.015027 -0.034379 -0.018322 0.004289 -0.116279 -0.058817 0.200813 0.035032 -0.094187 0.173482 -0.023756 0.066059 -0.367717 0.027451 -0.041606 -0.580811 -0.025204 -0.011751 0.012933 -0.000578 -0.003742 0.010470 0.119578 -0.048033 0.208447 0.003447 0.008690 -0.006954 0.013504 0.001311 -0.004853 0.008822 0.009940 0.006570 -0.002516 0.004323 0.010882 0.013812 -0.002457 0.005798 0.246548 0.069869 -0.187054 0.007107 -0.001004 0.003926 -0.012880 0.188972 -0.026987 -0.013519 0.001876 -0.000479 -0.134893 -0.132932 -0.338202 -0.044609 -0.001325 -0.000100 0.172475 -0.077929 -0.263528 0.018891 -0.035011 0.057984 0.006408 -0.000853 0.001100 -0.112851 0.017984 -0.461963 -0.039456 0.121821 -0.839631 -0.034391 -0.003194 -0.217604 -0.016192 -0.124950 -0.526645 -0.018680 -0.004393 0.014362 0.057425 -0.004239 -0.698889 -0.012124 0.004646 0.011359 -0.001720 0.003399 0.003634 -0.013148 0.000685 0.015350 0.018677 0.012634 0.007107 -0.007023 0.010975 0.010196 0.002178 -0.006633 0.002169 0.002742 0.004029 0.015551 -0.189256 0.073547 -0.153631 0.000798 -0.009081 0.001663 -0.004562 0.009334 0.003360 0.018329 -0.000589 -0.003327 -0.007050 0.002829 0.005927 -0.000160 -0.024253 -0.001302 -0.469325 0.268803 0.434701 -0.012454 0.000789 0.021738 0.349166 -0.213398 0.296059 -0.003710 0.001872 0.008743 0.120529 -0.292976 -0.272297 -0.000188 0.018046 0.011052 0.001796 -0.012550 0.008380 0.027777 0.368210 -0.160997 0.003701 -0.014647 0.007583 0.004864 -0.006309 0.005968 0.498643 0.017724 0.792147 0.007717 0.006786 0.006184 -0.229915 0.194727 1.284590 0.008391 0.002379 0.021098 -0.188267 -0.311700 0.086322 0.015893 -0.003522 0.008378 0.016118 0.004555 0.004885 -0.006968 0.114753 0.547468 -0.004730 0.004057 0.011043 -0.001974 -0.000445 0.015826 -0.066009 -0.278588 -0.434835 -0.007757 0.002861 0.011054 0.038259 0.198047 -0.177186 -0.002030 0.000395 -0.002317 0.269269 0.295517 0.178338 0.001289 0.002930 0.020466 -0.009125 -0.019043 -0.025270 -0.070170 -0.222055 0.024842 0.002154 0.010589 0.003548 -0.005869 -0.001305 0.008026 0.017334 -0.031138 -0.182387 0.013860 -0.001525 0.011972 -0.057220 -0.220673 0.780328 -0.015074 0.004973 0.025812 -0.269936 0.305905 0.165790 -0.011126 0.004836 0.004101 0.050616 0.003032 0.006436 0.070908 -0.093760 0.309682 -0.007328 -0.007179 0.010128 0.012891 -0.008596 0.014907 -0.035259 -0.018920 -0.001277 -0.116174 -0.058952 0.200951 0.035070 -0.094119 0.173597 -0.023741 0.065956 -0.367393 0.027478 -0.041482 -0.580431 -0.021027 -0.010253 0.013515 -0.000983 -0.002856 0.009040 0.119523 -0.048170 0.208399 0.003018 0.007699 -0.006195 0.012029 0.000819 -0.004103 0.007865 0.007794 0.004674 -0.002233 0.004019 0.010457 0.012773 -0.001998 0.006224 0.246997 0.069588 -0.186779 0.006889 -0.000663 0.004094 -0.012823 0.188422 -0.026999 -0.011741 0.001769 0.000008 -0.134993 -0.132994 -0.337673 -0.039790 -0.001436 0.000529 0.172646 -0.077641 -0.262866 0.019087 -0.034986 0.058377 0.004903 -0.000745 0.000691 -0.112973 0.018098 -0.461499 -0.039368 0.121893 -0.839639 -0.034340 -0.003137 -0.218142 -0.016112 -0.124985 -0.525915 -0.017067 -0.003626 0.014041 0.057304 -0.004153 -0.698157 -0.010616 0.003838 0.010928 -0.001793 0.002435 0.002767 -0.011851 0.000713 0.014952 0.016679 0.011257 0.007256 -0.006272 0.010328 0.010108 0.002203 -0.006068 0.002598 0.002667 0.003621 0.015651 -0.189287 0.073635 -0.152882 0.000834 -0.008125 0.002360 -0.003857 0.008701 0.004172 0.015888 -0.000364 -0.002296 -0.006432 0.002309 0.005709 -0.000736 -0.020925 -0.001086 -0.468706 0.269048 0.433469 -0.010566 0.001923 0.021273 0.349128 -0.211816 0.295744 -0.002110 0.001556 0.009488 0.121228 -0.292671 -0.272103 -0.001795 0.013666 0.010271 0.002759 -0.010518 0.009546 0.028249 0.368848 -0.159455 0.005500 -0.013668 0.006766 0.004801 -0.006736 0.007830 0.498214 0.017829 0.791261 0.006308 0.006464 0.005734 -0.229768 0.194759 1.284815 0.008419 0.002014 0.020177 -0.188842 -0.310797 0.086456 0.015778 -0.002521 0.008637 0.012979 0.004011 0.006446 -0.007187 0.115625 0.547738 -0.006529 0.003567 0.009453 -0.004298 -0.001541 0.017584 -0.065885 -0.278803 -0.434683 -0.005862 0.002403 0.010592 0.038154 0.196629 -0.177613 -0.001754 0.000274 -0.002586 0.269317 0.295192 0.178536 0.001881 0.003531 0.019345 -0.007230 -0.019078 -0.024727 -0.070425 -0.222478 0.024972 0.001640 0.011335 0.003391 -0.006704 -0.000775 0.009236 0.017259 -0.031294 -0.183054 0.012030 -0.000732 0.012257 -0.056923 -0.220790 0.779390 -0.012899 0.004542 0.024023 -0.269853 0.304937 0.165969 -0.010836 0.004317 0.003804 0.041629 0.001836 0.008069 0.071285 -0.094630 0.309799 -0.005054 -0.006347 0.008113 0.012286 -0.005408 0.016268</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="8.43824"
                           xFract="0.99979147"
                           y3="4.22317"
                           yFract="0.50037559"
                           z3="9.66075"
                           zFract="0.43477723"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20294"
                           xFract="0.49797867"
                           y3="2.09578"
                           yFract="0.24831517"
                           z3="8.48836"
                           zFract="0.3820144"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.19035"
                           xFract="0.49648697"
                           y3="8.42365"
                           yFract="0.9980628"
                           z3="6.36868"
                           zFract="0.28661926"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22716"
                           xFract="0.50084834"
                           y3="6.34019"
                           yFract="0.75120735"
                           z3="4.20381"
                           zFract="0.18919037"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.3262"
                           xFract="0.74954976"
                           y3="4.21714"
                           yFract="0.49966114"
                           z3="4.22376"
                           zFract="0.19008821"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03935"
                           xFract="0.00466232"
                           y3="8.4378"
                           yFract="0.99973934"
                           z3="6.40795"
                           zFract="0.28838659"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11545"
                           xFract="0.25064573"
                           y3="2.10024"
                           yFract="0.2488436"
                           z3="6.39981"
                           zFract="0.28802025"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04233"
                           xFract="0.0050154"
                           y3="2.0899"
                           yFract="0.24761848"
                           z3="8.53609"
                           zFract="0.38416247"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.15104"
                           xFract="0.25486256"
                           y3="6.3484"
                           yFract="0.75218009"
                           z3="6.37827"
                           zFract="0.28705086"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32986"
                           xFract="0.74998341"
                           y3="8.43842"
                           yFract="0.9998128"
                           z3="4.24651"
                           zFract="0.19111206"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.2890"
                           xFract="0.74514218"
                           y3="4.22275"
                           yFract="0.50032583"
                           z3="8.54606"
                           zFract="0.38461116"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09382"
                           xFract="0.24808294"
                           y3="0.01879"
                           yFract="0.0022263"
                           z3="4.20922"
                           zFract="0.18943384"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18702"
                           xFract="0.49609242"
                           y3="6.33272"
                           yFract="0.75032227"
                           z3="8.68764"
                           zFract="0.3909829"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13019"
                           xFract="0.25239218"
                           y3="8.43414"
                           yFract="0.99930569"
                           z3="8.62597"
                           zFract="0.38820747"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="8.4367"
                           xFract="0.999609"
                           y3="2.08856"
                           yFract="0.24745972"
                           z3="4.26401"
                           zFract="0.19189964"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.13563"
                           xFract="0.25303673"
                           y3="4.21551"
                           yFract="0.49946801"
                           z3="8.68517"
                           zFract="0.39087174"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05668"
                           xFract="0.00671564"
                           y3="6.31127"
                           yFract="0.74778081"
                           z3="8.56019"
                           zFract="0.38524707"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18485"
                           xFract="0.49583531"
                           y3="4.26403"
                           yFract="0.50521682"
                           z3="6.43238"
                           zFract="0.28948605"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21737"
                           xFract="0.49968839"
                           y3="2.10195"
                           yFract="0.24904621"
                           z3="4.23711"
                           zFract="0.19068902"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.30163"
                           xFract="0.74663863"
                           y3="8.42411"
                           yFract="0.9981173"
                           z3="8.51235"
                           zFract="0.38309406"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34392"
                           xFract="0.75164929"
                           y3="2.10658"
                           yFract="0.24959479"
                           z3="6.41571"
                           zFract="0.28873582"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28849"
                           xFract="0.74508175"
                           y3="6.33477"
                           yFract="0.75056517"
                           z3="6.43919"
                           zFract="0.28979253"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03071"
                           xFract="0.00363863"
                           y3="4.21212"
                           yFract="0.49906635"
                           z3="6.42342"
                           zFract="0.28908281"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10139"
                           xFract="0.24897986"
                           y3="4.2120"
                           yFract="0.49905213"
                           z3="4.24728"
                           zFract="0.19114671"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42229"
                           xFract="0.99790166"
                           y3="6.33668"
                           yFract="0.75079147"
                           z3="4.27845"
                           zFract="0.1925495"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02855"
                           xFract="0.0033827"
                           y3="2.08623"
                           yFract="0.24718365"
                           z3="6.4944"
                           zFract="0.29227723"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10361"
                           xFract="0.24924289"
                           y3="8.4375"
                           yFract="0.99970379"
                           z3="6.20509"
                           zFract="0.27925698"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34539"
                           xFract="0.98879028"
                           y3="8.4127"
                           yFract="0.9967654"
                           z3="4.31854"
                           zFract="0.19435374"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.08597"
                           xFract="0.01018602"
                           y3="8.40443"
                           yFract="0.99578555"
                           z3="8.56413"
                           zFract="0.38542439"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10961"
                           xFract="0.24995379"
                           y3="2.12307"
                           yFract="0.25154858"
                           z3="4.29089"
                           zFract="0.19310936"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15593"
                           xFract="0.25544194"
                           y3="2.08841"
                           yFract="0.24744194"
                           z3="8.52905"
                           zFract="0.38384563"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2086"
                           xFract="0.49864929"
                           y3="2.08738"
                           yFract="0.24731991"
                           z3="6.38703"
                           zFract="0.28744509"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33765"
                           xFract="0.7509064"
                           y3="8.43455"
                           yFract="0.99935427"
                           z3="6.37856"
                           zFract="0.28706391"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.3055"
                           xFract="0.51013033"
                           y3="8.38086"
                           yFract="0.99299289"
                           z3="4.21967"
                           zFract="0.18990414"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13215"
                           xFract="0.48959123"
                           y3="0.08541"
                           yFract="0.01011967"
                           z3="8.43407"
                           zFract="0.37957111"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3360"
                           xFract="0.7507109"
                           y3="2.11999"
                           yFract="0.25118365"
                           z3="4.22737"
                           zFract="0.19025068"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29403"
                           xFract="0.74573815"
                           y3="2.07685"
                           yFract="0.24607227"
                           z3="8.61963"
                           zFract="0.38792214"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02539"
                           xFract="0.00300829"
                           y3="6.34894"
                           yFract="0.75224408"
                           z3="6.41436"
                           zFract="0.28867507"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.1063"
                           xFract="0.24956161"
                           y3="4.22975"
                           yFract="0.50115521"
                           z3="6.3003"
                           zFract="0.28354185"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.39283"
                           xFract="0.99441114"
                           y3="4.24581"
                           yFract="0.50305806"
                           z3="4.22187"
                           zFract="0.19000315"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.43824"
                           xFract="0.99979147"
                           y3="4.22317"
                           yFract="0.50037559"
                           z3="8.66085"
                           zFract="0.38977723"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.16887"
                           xFract="0.25697512"
                           y3="6.32415"
                           yFract="0.74930687"
                           z3="4.19985"
                           zFract="0.18901215"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.19955"
                           xFract="0.26061019"
                           y3="6.34485"
                           yFract="0.75175948"
                           z3="8.52655"
                           zFract="0.38373312"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20967"
                           xFract="0.49877607"
                           y3="6.37184"
                           yFract="0.75495735"
                           z3="6.22443"
                           zFract="0.28012736"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33734"
                           xFract="0.75086967"
                           y3="4.22477"
                           yFract="0.50056517"
                           z3="6.45359"
                           zFract="0.29044059"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.25821"
                           xFract="0.50452725"
                           y3="4.28543"
                           yFract="0.50775237"
                           z3="4.21109"
                           zFract="0.189518"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.19722"
                           xFract="0.49730095"
                           y3="4.1160"
                           yFract="0.48767773"
                           z3="8.57778"
                           zFract="0.3860387"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.26024"
                           xFract="0.7417346"
                           y3="6.31946"
                           yFract="0.74875118"
                           z3="4.19654"
                           zFract="0.18886319"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.21744"
                           xFract="0.73666351"
                           y3="6.34873"
                           yFract="0.75221919"
                           z3="8.63429"
                           zFract="0.38858191"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a68" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a11 a48" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a60" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.00993"
                           xFract="0.00117654"
                           y3="4.22607"
                           yFract="0.50071919"
                           z3="9.64731"
                           zFract="0.43417237"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19787"
                           xFract="0.49737796"
                           y3="2.09802"
                           yFract="0.24858057"
                           z3="8.48923"
                           zFract="0.38205356"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18501"
                           xFract="0.49585427"
                           y3="8.42423"
                           yFract="0.99813152"
                           z3="6.36466"
                           zFract="0.28643834"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22667"
                           xFract="0.50079028"
                           y3="6.34274"
                           yFract="0.75150948"
                           z3="4.21474"
                           zFract="0.18968227"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32344"
                           xFract="0.74922275"
                           y3="4.22171"
                           yFract="0.50020261"
                           z3="4.2163"
                           zFract="0.18975248"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.04051"
                           xFract="0.00479976"
                           y3="8.4360"
                           yFract="0.99952607"
                           z3="6.41071"
                           zFract="0.2885108"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12161"
                           xFract="0.25137559"
                           y3="2.0936"
                           yFract="0.24805687"
                           z3="6.39263"
                           zFract="0.28769712"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.05106"
                           xFract="0.00604976"
                           y3="2.01303"
                           yFract="0.23851066"
                           z3="8.50872"
                           zFract="0.38293069"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.15674"
                           xFract="0.25553791"
                           y3="6.35452"
                           yFract="0.75290521"
                           z3="6.36978"
                           zFract="0.28666877"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32963"
                           xFract="0.74995616"
                           y3="8.4372"
                           yFract="0.99966825"
                           z3="4.24236"
                           zFract="0.19092529"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.20836"
                           xFract="0.73558768"
                           y3="4.22172"
                           yFract="0.50020379"
                           z3="8.5171"
                           zFract="0.38330783"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09659"
                           xFract="0.24841114"
                           y3="0.01511"
                           yFract="0.00179028"
                           z3="4.20946"
                           zFract="0.18944464"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18408"
                           xFract="0.49574408"
                           y3="6.3309"
                           yFract="0.75010664"
                           z3="8.6886"
                           zFract="0.3910261"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1319"
                           xFract="0.25259479"
                           y3="8.43485"
                           yFract="0.99938981"
                           z3="8.62643"
                           zFract="0.38822817"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00029"
                           xFract="0.00003436"
                           y3="2.08857"
                           yFract="0.2474609"
                           z3="4.25626"
                           zFract="0.19155086"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.19825"
                           xFract="0.26045616"
                           y3="4.21538"
                           yFract="0.49945261"
                           z3="8.67538"
                           zFract="0.39043114"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.06676"
                           xFract="0.00790995"
                           y3="6.40391"
                           yFract="0.75875711"
                           z3="8.53191"
                           zFract="0.38397435"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18298"
                           xFract="0.49561374"
                           y3="4.26414"
                           yFract="0.50522986"
                           z3="6.42923"
                           zFract="0.28934428"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2163"
                           xFract="0.49956161"
                           y3="2.09943"
                           yFract="0.24874763"
                           z3="4.23432"
                           zFract="0.19056346"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.29824"
                           xFract="0.74623697"
                           y3="8.42558"
                           yFract="0.99829147"
                           z3="8.50694"
                           zFract="0.38285059"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33697"
                           xFract="0.75082583"
                           y3="2.09911"
                           yFract="0.24870972"
                           z3="6.40394"
                           zFract="0.28820612"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28171"
                           xFract="0.74427844"
                           y3="6.3423"
                           yFract="0.75145735"
                           z3="6.42534"
                           zFract="0.28916922"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03429"
                           xFract="0.0040628"
                           y3="4.21099"
                           yFract="0.49893246"
                           z3="6.33713"
                           zFract="0.28519937"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10337"
                           xFract="0.24921445"
                           y3="4.21288"
                           yFract="0.4991564"
                           z3="4.23748"
                           zFract="0.19070567"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42328"
                           xFract="0.99801896"
                           y3="6.33945"
                           yFract="0.75111967"
                           z3="4.26818"
                           zFract="0.19208731"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02615"
                           xFract="0.00309834"
                           y3="2.11263"
                           yFract="0.25031161"
                           z3="6.51336"
                           zFract="0.29313051"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10219"
                           xFract="0.24907464"
                           y3="8.43764"
                           yFract="0.99972038"
                           z3="6.20284"
                           zFract="0.27915572"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3448"
                           xFract="0.98872038"
                           y3="8.40294"
                           yFract="0.995609"
                           z3="4.31858"
                           zFract="0.19435554"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07458"
                           xFract="0.00883649"
                           y3="8.40661"
                           yFract="0.99604384"
                           z3="8.57065"
                           zFract="0.38571782"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11348"
                           xFract="0.25041232"
                           y3="2.13127"
                           yFract="0.25252014"
                           z3="4.29802"
                           zFract="0.19343024"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13335"
                           xFract="0.25276659"
                           y3="2.09976"
                           yFract="0.24878673"
                           z3="8.53435"
                           zFract="0.38408416"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.21103"
                           xFract="0.4989372"
                           y3="2.09139"
                           yFract="0.24779502"
                           z3="6.39404"
                           zFract="0.28776058"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34097"
                           xFract="0.75129976"
                           y3="8.43502"
                           yFract="0.99940995"
                           z3="6.38404"
                           zFract="0.28731053"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30474"
                           xFract="0.51004028"
                           y3="8.39246"
                           yFract="0.9943673"
                           z3="4.21992"
                           zFract="0.18991539"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14407"
                           xFract="0.49100355"
                           y3="0.08345"
                           yFract="0.00988744"
                           z3="8.44207"
                           zFract="0.37993114"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32978"
                           xFract="0.74997393"
                           y3="2.12074"
                           yFract="0.25127251"
                           z3="4.2332"
                           zFract="0.19051305"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32308"
                           xFract="0.74918009"
                           y3="2.09923"
                           yFract="0.24872393"
                           z3="8.63155"
                           zFract="0.3884586"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0243"
                           xFract="0.00287915"
                           y3="6.32713"
                           yFract="0.74965995"
                           z3="6.43988"
                           zFract="0.28982358"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08703"
                           xFract="0.24727844"
                           y3="4.23004"
                           yFract="0.50118957"
                           z3="6.31652"
                           zFract="0.28427183"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.39004"
                           xFract="0.99408057"
                           y3="4.25455"
                           yFract="0.5040936"
                           z3="4.22895"
                           zFract="0.19032178"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3951"
                           xFract="0.99468009"
                           y3="4.19976"
                           yFract="0.4976019"
                           z3="8.76748"
                           zFract="0.39457606"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15568"
                           xFract="0.25541232"
                           y3="6.31861"
                           yFract="0.74865047"
                           z3="4.20454"
                           zFract="0.18922322"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17441"
                           xFract="0.25763152"
                           y3="6.33431"
                           yFract="0.75051066"
                           z3="8.53044"
                           zFract="0.38390819"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21166"
                           xFract="0.49901185"
                           y3="6.36381"
                           yFract="0.75400592"
                           z3="6.22718"
                           zFract="0.28025113"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.36325"
                           xFract="0.75393957"
                           y3="4.2246"
                           yFract="0.50054502"
                           z3="6.47334"
                           zFract="0.29132943"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26405"
                           xFract="0.50521919"
                           y3="4.27296"
                           yFract="0.50627488"
                           z3="4.21736"
                           zFract="0.18980018"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21975"
                           xFract="0.49997038"
                           y3="4.11783"
                           yFract="0.48789455"
                           z3="8.57895"
                           zFract="0.38609136"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27301"
                           xFract="0.74324763"
                           y3="6.31417"
                           yFract="0.74812441"
                           z3="4.20381"
                           zFract="0.18919037"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.24587"
                           xFract="0.74003199"
                           y3="6.32714"
                           yFract="0.74966114"
                           z3="8.64449"
                           zFract="0.38904095"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.00822"
                           xFract="0.00097393"
                           y3="4.22564"
                           yFract="0.50066825"
                           z3="9.64928"
                           zFract="0.43426103"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19861"
                           xFract="0.49746564"
                           y3="2.09769"
                           yFract="0.24854147"
                           z3="8.4891"
                           zFract="0.3820477"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18579"
                           xFract="0.49594668"
                           y3="8.42415"
                           yFract="0.99812204"
                           z3="6.36525"
                           zFract="0.2864649"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22674"
                           xFract="0.50079858"
                           y3="6.34236"
                           yFract="0.75146445"
                           z3="4.21314"
                           zFract="0.18961026"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32385"
                           xFract="0.74927133"
                           y3="4.22104"
                           yFract="0.50012322"
                           z3="4.21739"
                           zFract="0.18980153"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.04034"
                           xFract="0.00477962"
                           y3="8.43626"
                           yFract="0.99955687"
                           z3="6.4103"
                           zFract="0.28849235"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12071"
                           xFract="0.25126896"
                           y3="2.09457"
                           yFract="0.2481718"
                           z3="6.39369"
                           zFract="0.28774482"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04978"
                           xFract="0.0058981"
                           y3="2.02431"
                           yFract="0.23984716"
                           z3="8.51273"
                           zFract="0.38311116"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1559"
                           xFract="0.25543839"
                           y3="6.35362"
                           yFract="0.75279858"
                           z3="6.37102"
                           zFract="0.28672457"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32967"
                           xFract="0.7499609"
                           y3="8.43738"
                           yFract="0.99968957"
                           z3="4.24297"
                           zFract="0.19095275"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.22019"
                           xFract="0.73698934"
                           y3="4.22187"
                           yFract="0.50022156"
                           z3="8.52135"
                           zFract="0.3834991"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09618"
                           xFract="0.24836256"
                           y3="0.01565"
                           yFract="0.00185427"
                           z3="4.20942"
                           zFract="0.18944284"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18452"
                           xFract="0.49579621"
                           y3="6.33117"
                           yFract="0.75013863"
                           z3="8.68846"
                           zFract="0.3910198"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13165"
                           xFract="0.25256517"
                           y3="8.43475"
                           yFract="0.99937796"
                           z3="8.62636"
                           zFract="0.38822502"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00023"
                           xFract="-0.00002725"
                           y3="2.08857"
                           yFract="0.2474609"
                           z3="4.2574"
                           zFract="0.19160216"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.18906"
                           xFract="0.2593673"
                           y3="4.2154"
                           yFract="0.49945498"
                           z3="8.67682"
                           zFract="0.39049595"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.06528"
                           xFract="0.0077346"
                           y3="6.39032"
                           yFract="0.75714692"
                           z3="8.53606"
                           zFract="0.38416112"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18326"
                           xFract="0.49564692"
                           y3="4.26413"
                           yFract="0.50522867"
                           z3="6.42969"
                           zFract="0.28936499"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21646"
                           xFract="0.49958057"
                           y3="2.0998"
                           yFract="0.24879147"
                           z3="4.23473"
                           zFract="0.19058191"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.29874"
                           xFract="0.74629621"
                           y3="8.42536"
                           yFract="0.9982654"
                           z3="8.50773"
                           zFract="0.38288614"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33799"
                           xFract="0.75094668"
                           y3="2.10021"
                           yFract="0.24884005"
                           z3="6.40567"
                           zFract="0.28828398"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.2827"
                           xFract="0.74439573"
                           y3="6.3412"
                           yFract="0.75132701"
                           z3="6.42738"
                           zFract="0.28926103"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03377"
                           xFract="0.00400118"
                           y3="4.21115"
                           yFract="0.49895142"
                           z3="6.34979"
                           zFract="0.28576913"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10308"
                           xFract="0.24918009"
                           y3="4.21275"
                           yFract="0.499141"
                           z3="4.23892"
                           zFract="0.19077048"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42314"
                           xFract="0.99800237"
                           y3="6.33904"
                           yFract="0.75107109"
                           z3="4.26969"
                           zFract="0.19215527"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0265"
                           xFract="0.00313981"
                           y3="2.10875"
                           yFract="0.2498519"
                           z3="6.51058"
                           zFract="0.2930054"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1024"
                           xFract="0.24909953"
                           y3="8.43762"
                           yFract="0.99971801"
                           z3="6.20317"
                           zFract="0.27917057"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34489"
                           xFract="0.98873104"
                           y3="8.40438"
                           yFract="0.99577962"
                           z3="4.31857"
                           zFract="0.19435509"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07625"
                           xFract="0.00903436"
                           y3="8.40629"
                           yFract="0.99600592"
                           z3="8.56969"
                           zFract="0.38567462"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11291"
                           xFract="0.25034479"
                           y3="2.13007"
                           yFract="0.25237796"
                           z3="4.29698"
                           zFract="0.19338344"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13666"
                           xFract="0.25315877"
                           y3="2.0981"
                           yFract="0.24859005"
                           z3="8.53358"
                           zFract="0.3840495"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.21067"
                           xFract="0.49889455"
                           y3="2.0908"
                           yFract="0.24772512"
                           z3="6.39301"
                           zFract="0.28771422"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34048"
                           xFract="0.75124171"
                           y3="8.43495"
                           yFract="0.99940166"
                           z3="6.38324"
                           zFract="0.28727453"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30485"
                           xFract="0.51005332"
                           y3="8.39076"
                           yFract="0.99416588"
                           z3="4.21988"
                           zFract="0.18991359"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14232"
                           xFract="0.49079621"
                           y3="0.08374"
                           yFract="0.0099218"
                           z3="8.4409"
                           zFract="0.37987849"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33069"
                           xFract="0.75008175"
                           y3="2.12063"
                           yFract="0.25125948"
                           z3="4.23235"
                           zFract="0.1904748"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.31882"
                           xFract="0.74867536"
                           y3="2.09594"
                           yFract="0.24833412"
                           z3="8.6298"
                           zFract="0.38837984"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02446"
                           xFract="0.0028981"
                           y3="6.33033"
                           yFract="0.7500391"
                           z3="6.43613"
                           zFract="0.28965482"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08986"
                           xFract="0.24761374"
                           y3="4.2300"
                           yFract="0.50118483"
                           z3="6.31414"
                           zFract="0.28416472"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.39045"
                           xFract="0.99412915"
                           y3="4.25327"
                           yFract="0.50394194"
                           z3="4.22792"
                           zFract="0.19027543"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.40143"
                           xFract="0.99543009"
                           y3="4.2032"
                           yFract="0.49800948"
                           z3="8.75183"
                           zFract="0.39387174"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15762"
                           xFract="0.25564218"
                           y3="6.31942"
                           yFract="0.74874645"
                           z3="4.20386"
                           zFract="0.18919262"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1781"
                           xFract="0.25806872"
                           y3="6.33586"
                           yFract="0.75069431"
                           z3="8.52987"
                           zFract="0.38388254"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21137"
                           xFract="0.49897749"
                           y3="6.36499"
                           yFract="0.75414573"
                           z3="6.22677"
                           zFract="0.28023267"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.35945"
                           xFract="0.75348934"
                           y3="4.22463"
                           yFract="0.50054858"
                           z3="6.47044"
                           zFract="0.29119892"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26319"
                           xFract="0.5051173"
                           y3="4.27479"
                           yFract="0.50649171"
                           z3="4.21644"
                           zFract="0.18975878"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21644"
                           xFract="0.4995782"
                           y3="4.11756"
                           yFract="0.48786256"
                           z3="8.57878"
                           zFract="0.38608371"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27114"
                           xFract="0.74302607"
                           y3="6.31495"
                           yFract="0.74821682"
                           z3="4.20274"
                           zFract="0.18914221"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.2417"
                           xFract="0.73953791"
                           y3="6.3303"
                           yFract="0.75003555"
                           z3="8.64299"
                           zFract="0.38897345"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a48" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.01607"
                           xFract="0.00190403"
                           y3="4.22843"
                           yFract="0.50099882"
                           z3="9.69353"
                           zFract="0.43625248"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19634"
                           xFract="0.49719668"
                           y3="2.09744"
                           yFract="0.24851185"
                           z3="8.48991"
                           zFract="0.38208416"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18341"
                           xFract="0.49566469"
                           y3="8.42456"
                           yFract="0.99817062"
                           z3="6.36365"
                           zFract="0.28639289"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22653"
                           xFract="0.5007737"
                           y3="6.34335"
                           yFract="0.75158175"
                           z3="4.21803"
                           zFract="0.18983033"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32228"
                           xFract="0.74908531"
                           y3="4.22312"
                           yFract="0.50036967"
                           z3="4.21421"
                           zFract="0.18965842"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.04066"
                           xFract="0.00481754"
                           y3="8.43558"
                           yFract="0.9994763"
                           z3="6.41046"
                           zFract="0.28849955"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12299"
                           xFract="0.2515391"
                           y3="2.09207"
                           yFract="0.24787559"
                           z3="6.39108"
                           zFract="0.28762736"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.05278"
                           xFract="0.00625355"
                           y3="1.99118"
                           yFract="0.2359218"
                           z3="8.50106"
                           zFract="0.38258596"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.15787"
                           xFract="0.2556718"
                           y3="6.35585"
                           yFract="0.7530628"
                           z3="6.36746"
                           zFract="0.28656436"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32963"
                           xFract="0.74995616"
                           y3="8.43676"
                           yFract="0.99961611"
                           z3="4.24103"
                           zFract="0.19086544"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.1873"
                           xFract="0.73309242"
                           y3="4.22096"
                           yFract="0.50011374"
                           z3="8.50854"
                           zFract="0.38292259"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09738"
                           xFract="0.24850474"
                           y3="0.01397"
                           yFract="0.00165521"
                           z3="4.20947"
                           zFract="0.18944509"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18314"
                           xFract="0.4956327"
                           y3="6.33114"
                           yFract="0.75013507"
                           z3="8.6891"
                           zFract="0.3910486"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13328"
                           xFract="0.25275829"
                           y3="8.43538"
                           yFract="0.99945261"
                           z3="8.62691"
                           zFract="0.38824977"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00157"
                           xFract="0.00018602"
                           y3="2.08792"
                           yFract="0.24738389"
                           z3="4.25374"
                           zFract="0.19143744"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.21647"
                           xFract="0.26261493"
                           y3="4.21555"
                           yFract="0.49947275"
                           z3="8.67155"
                           zFract="0.39025878"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.06924"
                           xFract="0.00820379"
                           y3="6.42925"
                           yFract="0.76175948"
                           z3="8.52245"
                           zFract="0.3835486"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18208"
                           xFract="0.49550711"
                           y3="4.26393"
                           yFract="0.50520498"
                           z3="6.42698"
                           zFract="0.28924302"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21593"
                           xFract="0.49951777"
                           y3="2.09855"
                           yFract="0.24864336"
                           z3="4.23337"
                           zFract="0.1905207"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.29591"
                           xFract="0.7459609"
                           y3="8.42633"
                           yFract="0.99838033"
                           z3="8.50554"
                           zFract="0.38278758"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33532"
                           xFract="0.75063033"
                           y3="2.09732"
                           yFract="0.24849763"
                           z3="6.40081"
                           zFract="0.28806526"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28025"
                           xFract="0.74410545"
                           y3="6.34408"
                           yFract="0.75166825"
                           z3="6.42119"
                           zFract="0.28898245"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03465"
                           xFract="0.00410545"
                           y3="4.21047"
                           yFract="0.49887085"
                           z3="6.31065"
                           zFract="0.28400765"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10472"
                           xFract="0.24937441"
                           y3="4.21328"
                           yFract="0.49920379"
                           z3="4.23492"
                           zFract="0.19059046"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42376"
                           xFract="0.99807583"
                           y3="6.34103"
                           yFract="0.75130687"
                           z3="4.26511"
                           zFract="0.19194914"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02554"
                           xFract="0.00302607"
                           y3="2.1201"
                           yFract="0.25119668"
                           z3="6.51743"
                           zFract="0.29331368"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10174"
                           xFract="0.24902133"
                           y3="8.43763"
                           yFract="0.99971919"
                           z3="6.20229"
                           zFract="0.27913096"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34444"
                           xFract="0.98867773"
                           y3="8.39962"
                           yFract="0.99521564"
                           z3="4.31858"
                           zFract="0.19435554"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06969"
                           xFract="0.00825711"
                           y3="8.40899"
                           yFract="0.99632583"
                           z3="8.57326"
                           zFract="0.38583528"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1146"
                           xFract="0.25054502"
                           y3="2.13431"
                           yFract="0.25288033"
                           z3="4.30032"
                           zFract="0.19353375"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12768"
                           xFract="0.25209479"
                           y3="2.10384"
                           yFract="0.24927014"
                           z3="8.53573"
                           zFract="0.38414626"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.21154"
                           xFract="0.49899763"
                           y3="2.0928"
                           yFract="0.24796209"
                           z3="6.39696"
                           zFract="0.28789199"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34217"
                           xFract="0.75144194"
                           y3="8.43513"
                           yFract="0.99942299"
                           z3="6.38557"
                           zFract="0.28737939"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30481"
                           xFract="0.51004858"
                           y3="8.3966"
                           yFract="0.99485782"
                           z3="4.2199"
                           zFract="0.18991449"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14903"
                           xFract="0.49159123"
                           y3="0.08271"
                           yFract="0.00979976"
                           z3="8.44502"
                           zFract="0.38006391"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32809"
                           xFract="0.7497737"
                           y3="2.12104"
                           yFract="0.25130806"
                           z3="4.23494"
                           zFract="0.19059136"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33077"
                           xFract="0.75009123"
                           y3="2.10483"
                           yFract="0.24938744"
                           z3="8.63489"
                           zFract="0.38860891"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02394"
                           xFract="0.00283649"
                           y3="6.32077"
                           yFract="0.7489064"
                           z3="6.44752"
                           zFract="0.29016742"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08211"
                           xFract="0.2466955"
                           y3="4.23022"
                           yFract="0.5012109"
                           z3="6.32125"
                           zFract="0.2844847"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.38883"
                           xFract="0.9939372"
                           y3="4.2577"
                           yFract="0.50446682"
                           z3="4.22932"
                           zFract="0.19033843"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37892"
                           xFract="0.99276303"
                           y3="4.19205"
                           yFract="0.49668839"
                           z3="8.75355"
                           zFract="0.39394914"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15101"
                           xFract="0.254859"
                           y3="6.31641"
                           yFract="0.74838981"
                           z3="4.2061"
                           zFract="0.18929343"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16746"
                           xFract="0.25680806"
                           y3="6.33015"
                           yFract="0.75001777"
                           z3="8.53157"
                           zFract="0.38395905"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21193"
                           xFract="0.49904384"
                           y3="6.36114"
                           yFract="0.75368957"
                           z3="6.22851"
                           zFract="0.28031098"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.37106"
                           xFract="0.75486493"
                           y3="4.22465"
                           yFract="0.50055095"
                           z3="6.47835"
                           zFract="0.29155491"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26612"
                           xFract="0.50546445"
                           y3="4.26852"
                           yFract="0.50574882"
                           z3="4.21956"
                           zFract="0.18989919"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22617"
                           xFract="0.50073104"
                           y3="4.11852"
                           yFract="0.4879763"
                           z3="8.57919"
                           zFract="0.38610216"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27738"
                           xFract="0.7437654"
                           y3="6.31248"
                           yFract="0.74792417"
                           z3="4.20627"
                           zFract="0.18930108"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25408"
                           xFract="0.74100474"
                           y3="6.32134"
                           yFract="0.74897393"
                           z3="8.6474"
                           zFract="0.38917192"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02333"
                           xFract="0.00276422"
                           y3="4.2310"
                           yFract="0.50130332"
                           z3="9.73445"
                           zFract="0.43809406"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19423"
                           xFract="0.49694668"
                           y3="2.09722"
                           yFract="0.24848578"
                           z3="8.49066"
                           zFract="0.38211791"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18121"
                           xFract="0.49540403"
                           y3="8.42494"
                           yFract="0.99821564"
                           z3="6.36216"
                           zFract="0.28632583"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22634"
                           xFract="0.50075118"
                           y3="6.34426"
                           yFract="0.75168957"
                           z3="4.22254"
                           zFract="0.1900333"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32084"
                           xFract="0.74891469"
                           y3="4.22504"
                           yFract="0.50059716"
                           z3="4.21128"
                           zFract="0.18952655"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.04096"
                           xFract="0.00485308"
                           y3="8.43495"
                           yFract="0.99940166"
                           z3="6.41061"
                           zFract="0.2885063"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12511"
                           xFract="0.25179028"
                           y3="2.08976"
                           yFract="0.2476019"
                           z3="6.38866"
                           zFract="0.28751845"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.05555"
                           xFract="0.00658175"
                           y3="1.96055"
                           yFract="0.23229265"
                           z3="8.49026"
                           zFract="0.38209991"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.15969"
                           xFract="0.25588744"
                           y3="6.3579"
                           yFract="0.75330569"
                           z3="6.36416"
                           zFract="0.28641584"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32959"
                           xFract="0.74995142"
                           y3="8.43619"
                           yFract="0.99954858"
                           z3="4.23925"
                           zFract="0.19078533"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.15689"
                           xFract="0.72948934"
                           y3="4.22011"
                           yFract="0.50001303"
                           z3="8.4967"
                           zFract="0.38238974"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09848"
                           xFract="0.24863507"
                           y3="0.01242"
                           yFract="0.00147156"
                           z3="4.20952"
                           zFract="0.18944734"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18186"
                           xFract="0.49548104"
                           y3="6.33112"
                           yFract="0.7501327"
                           z3="8.68969"
                           zFract="0.39107516"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13479"
                           xFract="0.2529372"
                           y3="8.43597"
                           yFract="0.99952251"
                           z3="8.62742"
                           zFract="0.38827273"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00324"
                           xFract="0.00038389"
                           y3="2.08731"
                           yFract="0.24731161"
                           z3="4.25036"
                           zFract="0.19128533"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.24181"
                           xFract="0.2656173"
                           y3="4.21568"
                           yFract="0.49948815"
                           z3="8.66668"
                           zFract="0.3900396"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.07291"
                           xFract="0.00863863"
                           y3="6.46525"
                           yFract="0.76602488"
                           z3="8.50987"
                           zFract="0.38298245"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1810"
                           xFract="0.49537915"
                           y3="4.26374"
                           yFract="0.50518246"
                           z3="6.42447"
                           zFract="0.28913006"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21544"
                           xFract="0.49945972"
                           y3="2.0974"
                           yFract="0.24850711"
                           z3="4.23212"
                           zFract="0.19046445"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.29329"
                           xFract="0.74565047"
                           y3="8.42722"
                           yFract="0.99848578"
                           z3="8.50351"
                           zFract="0.38269622"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33285"
                           xFract="0.75033768"
                           y3="2.09464"
                           yFract="0.24818009"
                           z3="6.39631"
                           zFract="0.28786274"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.27798"
                           xFract="0.74383649"
                           y3="6.34675"
                           yFract="0.7519846"
                           z3="6.41547"
                           zFract="0.28872502"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03547"
                           xFract="0.00420261"
                           y3="4.20984"
                           yFract="0.49879621"
                           z3="6.27447"
                           zFract="0.28237939"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10625"
                           xFract="0.24955569"
                           y3="4.21377"
                           yFract="0.49926185"
                           z3="4.23122"
                           zFract="0.19042394"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42433"
                           xFract="0.99814336"
                           y3="6.34287"
                           yFract="0.75152488"
                           z3="4.26087"
                           zFract="0.19175833"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02465"
                           xFract="0.00292062"
                           y3="2.13058"
                           yFract="0.25243839"
                           z3="6.52377"
                           zFract="0.29359901"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10113"
                           xFract="0.24894905"
                           y3="8.43765"
                           yFract="0.99972156"
                           z3="6.20147"
                           zFract="0.27909406"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34403"
                           xFract="0.98862915"
                           y3="8.39523"
                           yFract="0.9946955"
                           z3="4.31859"
                           zFract="0.19435599"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06362"
                           xFract="0.00753791"
                           y3="8.41148"
                           yFract="0.99662085"
                           z3="8.57656"
                           zFract="0.3859838"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11615"
                           xFract="0.25072867"
                           y3="2.13824"
                           yFract="0.25334597"
                           z3="4.30341"
                           zFract="0.19367282"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11937"
                           xFract="0.25111019"
                           y3="2.10914"
                           yFract="0.2498981"
                           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="4.21235"
                           xFract="0.4990936"
                           y3="2.09466"
                           yFract="0.24818246"
                           z3="6.40061"
                           zFract="0.28805626"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34373"
                           xFract="0.75162678"
                           y3="8.4353"
                           yFract="0.99944313"
                           z3="6.38773"
                           zFract="0.2874766"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30478"
                           xFract="0.51004502"
                           y3="8.40201"
                           yFract="0.99549882"
                           z3="4.21991"
                           zFract="0.18991494"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.15524"
                           xFract="0.49232701"
                           y3="0.08176"
                           yFract="0.0096872"
                           z3="8.44883"
                           zFract="0.38023537"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32568"
                           xFract="0.74948815"
                           y3="2.12141"
                           yFract="0.2513519"
                           z3="4.23734"
                           zFract="0.19069937"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34183"
                           xFract="0.75140166"
                           y3="2.11305"
                           yFract="0.25036137"
                           z3="8.6396"
                           zFract="0.38882088"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02347"
                           xFract="0.00278081"
                           y3="6.31192"
                           yFract="0.74785782"
                           z3="6.45805"
                           zFract="0.29064131"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07495"
                           xFract="0.24584716"
                           y3="4.23042"
                           yFract="0.5012346"
                           z3="6.32783"
                           zFract="0.28478083"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.38733"
                           xFract="0.99375948"
                           y3="4.2618"
                           yFract="0.50495261"
                           z3="4.23061"
                           zFract="0.19039649"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35811"
                           xFract="0.99029739"
                           y3="4.18174"
                           yFract="0.49546682"
                           z3="8.75513"
                           zFract="0.39402025"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14491"
                           xFract="0.25413626"
                           y3="6.31363"
                           yFract="0.74806043"
                           z3="4.20817"
                           zFract="0.18938659"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15763"
                           xFract="0.25564336"
                           y3="6.32487"
                           yFract="0.74939218"
                           z3="8.53314"
                           zFract="0.3840297"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21245"
                           xFract="0.49910545"
                           y3="6.35759"
                           yFract="0.75326896"
                           z3="6.23011"
                           zFract="0.28038299"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3818"
                           xFract="0.75613744"
                           y3="4.22467"
                           yFract="0.50055332"
                           z3="6.48567"
                           zFract="0.29188434"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26883"
                           xFract="0.50578555"
                           y3="4.26273"
                           yFract="0.5050628"
                           z3="4.22245"
                           zFract="0.19002925"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23517"
                           xFract="0.50179739"
                           y3="4.11941"
                           yFract="0.48808175"
                           z3="8.57958"
                           zFract="0.38611971"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28316"
                           xFract="0.74445024"
                           y3="6.31019"
                           yFract="0.74765284"
                           z3="4.20953"
                           zFract="0.18944779"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26552"
                           xFract="0.74236019"
                           y3="6.31305"
                           yFract="0.74799171"
                           z3="8.65148"
                           zFract="0.38935554"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02017"
                           xFract="0.00238981"
                           y3="4.22988"
                           yFract="0.50117062"
                           z3="9.71665"
                           zFract="0.43729298"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19515"
                           xFract="0.49705569"
                           y3="2.09731"
                           yFract="0.24849645"
                           z3="8.49033"
                           zFract="0.38210306"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18217"
                           xFract="0.49551777"
                           y3="8.42477"
                           yFract="0.9981955"
                           z3="6.36281"
                           zFract="0.28635509"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22642"
                           xFract="0.50076066"
                           y3="6.34386"
                           yFract="0.75164218"
                           z3="4.22058"
                           zFract="0.18994509"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32147"
                           xFract="0.74898934"
                           y3="4.2242"
                           yFract="0.50049763"
                           z3="4.21255"
                           zFract="0.18958371"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.04083"
                           xFract="0.00483768"
                           y3="8.43523"
                           yFract="0.99943483"
                           z3="6.41054"
                           zFract="0.28850315"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12419"
                           xFract="0.25168128"
                           y3="2.09076"
                           yFract="0.24772038"
                           z3="6.38971"
                           zFract="0.28756571"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.05434"
                           xFract="0.00643839"
                           y3="1.97388"
                           yFract="0.23387204"
                           z3="8.49495"
                           zFract="0.38231098"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1589"
                           xFract="0.25579384"
                           y3="6.35701"
                           yFract="0.75320024"
                           z3="6.36559"
                           zFract="0.2864802"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32961"
                           xFract="0.74995379"
                           y3="8.43644"
                           yFract="0.9995782"
                           z3="4.24003"
                           zFract="0.19082043"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.17012"
                           xFract="0.73105687"
                           y3="4.22048"
                           yFract="0.50005687"
                           z3="8.50185"
                           zFract="0.38262151"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0980"
                           xFract="0.2485782"
                           y3="0.01309"
                           yFract="0.00155095"
                           z3="4.2095"
                           zFract="0.18944644"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18242"
                           xFract="0.49554739"
                           y3="6.33113"
                           yFract="0.75013389"
                           z3="8.68943"
                           zFract="0.39106346"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13414"
                           xFract="0.25286019"
                           y3="8.43572"
                           yFract="0.99949289"
                           z3="8.6272"
                           zFract="0.38826283"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00251"
                           xFract="0.00029739"
                           y3="2.08758"
                           yFract="0.2473436"
                           z3="4.25183"
                           zFract="0.19135149"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23078"
                           xFract="0.26431043"
                           y3="4.21562"
                           yFract="0.49948104"
                           z3="8.6688"
                           zFract="0.39013501"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.07131"
                           xFract="0.00844905"
                           y3="6.44959"
                           yFract="0.76416943"
                           z3="8.51534"
                           zFract="0.38322862"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18147"
                           xFract="0.49543483"
                           y3="4.26382"
                           yFract="0.50519194"
                           z3="6.42556"
                           zFract="0.28917912"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21565"
                           xFract="0.4994846"
                           y3="2.0979"
                           yFract="0.24856635"
                           z3="4.23267"
                           zFract="0.1904892"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.29443"
                           xFract="0.74578555"
                           y3="8.42683"
                           yFract="0.99843957"
                           z3="8.50439"
                           zFract="0.38273582"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33392"
                           xFract="0.75046445"
                           y3="2.09581"
                           yFract="0.24831872"
                           z3="6.39827"
                           zFract="0.28795095"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.27897"
                           xFract="0.74395379"
                           y3="6.34559"
                           yFract="0.75184716"
                           z3="6.41796"
                           zFract="0.28883708"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03512"
                           xFract="0.00416114"
                           y3="4.21011"
                           yFract="0.4988282"
                           z3="6.29021"
                           zFract="0.28308776"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10558"
                           xFract="0.2494763"
                           y3="4.21355"
                           yFract="0.49923578"
                           z3="4.23283"
                           zFract="0.1904964"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42408"
                           xFract="0.99811374"
                           y3="6.34207"
                           yFract="0.75143009"
                           z3="4.26272"
                           zFract="0.19184158"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02504"
                           xFract="0.00296682"
                           y3="2.12602"
                           yFract="0.2518981"
                           z3="6.52101"
                           zFract="0.2934748"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10139"
                           xFract="0.24897986"
                           y3="8.43764"
                           yFract="0.99972038"
                           z3="6.20183"
                           zFract="0.27911026"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34421"
                           xFract="0.98865047"
                           y3="8.39714"
                           yFract="0.9949218"
                           z3="4.31859"
                           zFract="0.19435599"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06626"
                           xFract="0.00785071"
                           y3="8.4104"
                           yFract="0.99649289"
                           z3="8.57513"
                           zFract="0.38591944"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11548"
                           xFract="0.25064929"
                           y3="2.13653"
                           yFract="0.25314336"
                           z3="4.30206"
                           zFract="0.19361206"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12299"
                           xFract="0.2515391"
                           y3="2.10683"
                           yFract="0.24962441"
                           z3="8.53685"
                           zFract="0.38419667"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2120"
                           xFract="0.49905213"
                           y3="2.09385"
                           yFract="0.24808649"
                           z3="6.39903"
                           zFract="0.28798515"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34305"
                           xFract="0.75154621"
                           y3="8.43523"
                           yFract="0.99943483"
                           z3="6.38679"
                           zFract="0.28743429"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.3048"
                           xFract="0.51004739"
                           y3="8.39966"
                           yFract="0.99522038"
                           z3="4.21991"
                           zFract="0.18991494"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.15254"
                           xFract="0.49200711"
                           y3="0.08218"
                           yFract="0.00973697"
                           z3="8.44717"
                           zFract="0.38016067"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32673"
                           xFract="0.74961256"
                           y3="2.12125"
                           yFract="0.25133294"
                           z3="4.2363"
                           zFract="0.19065257"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33702"
                           xFract="0.75083175"
                           y3="2.10947"
                           yFract="0.2499372"
                           z3="8.63755"
                           zFract="0.38872862"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02368"
                           xFract="0.00280569"
                           y3="6.31577"
                           yFract="0.74831398"
                           z3="6.45347"
                           zFract="0.29043519"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07807"
                           xFract="0.24621682"
                           y3="4.23033"
                           yFract="0.50122393"
                           z3="6.32497"
                           zFract="0.28465212"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.38798"
                           xFract="0.99383649"
                           y3="4.26001"
                           yFract="0.50474052"
                           z3="4.23005"
                           zFract="0.19037129"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36716"
                           xFract="0.99136967"
                           y3="4.18623"
                           yFract="0.49599882"
                           z3="8.75444"
                           zFract="0.3939892"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14756"
                           xFract="0.25445024"
                           y3="6.31484"
                           yFract="0.74820379"
                           z3="4.20727"
                           zFract="0.18934608"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16191"
                           xFract="0.25615047"
                           y3="6.32717"
                           yFract="0.74966469"
                           z3="8.53246"
                           zFract="0.3839991"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21223"
                           xFract="0.49907938"
                           y3="6.35913"
                           yFract="0.75345142"
                           z3="6.22942"
                           zFract="0.28035194"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.37713"
                           xFract="0.75558412"
                           y3="4.22466"
                           yFract="0.50055213"
                           z3="6.48248"
                           zFract="0.29174077"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26765"
                           xFract="0.50564573"
                           y3="4.26525"
                           yFract="0.50536137"
                           z3="4.22119"
                           zFract="0.18997255"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23126"
                           xFract="0.50133412"
                           y3="4.11902"
                           yFract="0.48803555"
                           z3="8.57941"
                           zFract="0.38611206"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28065"
                           xFract="0.74415284"
                           y3="6.31119"
                           yFract="0.74777133"
                           z3="4.20811"
                           zFract="0.18938389"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26054"
                           xFract="0.74177014"
                           y3="6.31666"
                           yFract="0.74841943"
                           z3="8.6497"
                           zFract="0.38927543"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02127"
                           xFract="0.00252014"
                           y3="4.23056"
                           yFract="0.50125118"
                           z3="9.72399"
                           zFract="0.43762331"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19566"
                           xFract="0.49711611"
                           y3="2.09539"
                           yFract="0.24826896"
                           z3="8.49108"
                           zFract="0.38213681"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18215"
                           xFract="0.4955154"
                           y3="8.42499"
                           yFract="0.99822156"
                           z3="6.36323"
                           zFract="0.28637399"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2265"
                           xFract="0.50077014"
                           y3="6.34363"
                           yFract="0.75161493"
                           z3="4.22073"
                           zFract="0.18995185"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32091"
                           xFract="0.74892299"
                           y3="4.22422"
                           yFract="0.5005"
                           z3="4.21283"
                           zFract="0.18959631"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.0404"
                           xFract="0.00478673"
                           y3="8.43539"
                           yFract="0.99945379"
                           z3="6.40858"
                           zFract="0.28841494"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1233"
                           xFract="0.25157583"
                           y3="2.09166"
                           yFract="0.24782701"
                           z3="6.39057"
                           zFract="0.28760441"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.05265"
                           xFract="0.00623815"
                           y3="1.97599"
                           yFract="0.23412204"
                           z3="8.49589"
                           zFract="0.38235329"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.15773"
                           xFract="0.25565521"
                           y3="6.35599"
                           yFract="0.75307938"
                           z3="6.36587"
                           zFract="0.2864928"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32978"
                           xFract="0.74997393"
                           y3="8.43633"
                           yFract="0.99956517"
                           z3="4.23986"
                           zFract="0.19081278"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.17647"
                           xFract="0.73180924"
                           y3="4.2199"
                           yFract="0.49998815"
                           z3="8.50199"
                           zFract="0.38262781"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09801"
                           xFract="0.24857938"
                           y3="0.0130"
                           yFract="0.00154028"
                           z3="4.20926"
                           zFract="0.18943564"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18263"
                           xFract="0.49557227"
                           y3="6.33251"
                           yFract="0.75029739"
                           z3="8.68986"
                           zFract="0.39108281"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13588"
                           xFract="0.25306635"
                           y3="8.43624"
                           yFract="0.9995545"
                           z3="8.62784"
                           zFract="0.38829163"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0029"
                           xFract="0.0003436"
                           y3="2.08643"
                           yFract="0.24720735"
                           z3="4.25143"
                           zFract="0.19133348"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23071"
                           xFract="0.26430213"
                           y3="4.21595"
                           yFract="0.49952014"
                           z3="8.6672"
                           zFract="0.39006301"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.07009"
                           xFract="0.0083045"
                           y3="6.44615"
                           yFract="0.76376185"
                           z3="8.51387"
                           zFract="0.38316247"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18093"
                           xFract="0.49537085"
                           y3="4.26331"
                           yFract="0.50513152"
                           z3="6.42307"
                           zFract="0.28906706"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21556"
                           xFract="0.49947393"
                           y3="2.09772"
                           yFract="0.24854502"
                           z3="4.23248"
                           zFract="0.19048065"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.29209"
                           xFract="0.74550829"
                           y3="8.4273"
                           yFract="0.99849526"
                           z3="8.50494"
                           zFract="0.38276058"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33476"
                           xFract="0.75056398"
                           y3="2.09675"
                           yFract="0.24843009"
                           z3="6.39893"
                           zFract="0.28798065"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28013"
                           xFract="0.74409123"
                           y3="6.34459"
                           yFract="0.75172867"
                           z3="6.41806"
                           zFract="0.28884158"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03376"
                           xFract="0.0040"
                           y3="4.20971"
                           yFract="0.49878081"
                           z3="6.2880"
                           zFract="0.2829883"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10703"
                           xFract="0.2496481"
                           y3="4.21379"
                           yFract="0.49926422"
                           z3="4.23335"
                           zFract="0.1905198"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42436"
                           xFract="0.99814692"
                           y3="6.34334"
                           yFract="0.75158057"
                           z3="4.26268"
                           zFract="0.19183978"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02531"
                           xFract="0.00299882"
                           y3="2.12502"
                           yFract="0.25177962"
                           z3="6.51764"
                           zFract="0.29332313"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10135"
                           xFract="0.24897512"
                           y3="8.43758"
                           yFract="0.99971327"
                           z3="6.20193"
                           zFract="0.27911476"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34422"
                           xFract="0.98865166"
                           y3="8.39634"
                           yFract="0.99482701"
                           z3="4.31855"
                           zFract="0.19435419"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06445"
                           xFract="0.00763626"
                           y3="8.41402"
                           yFract="0.9969218"
                           z3="8.57638"
                           zFract="0.3859757"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11554"
                           xFract="0.2506564"
                           y3="2.13765"
                           yFract="0.25327607"
                           z3="4.30241"
                           zFract="0.19362781"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12456"
                           xFract="0.25172512"
                           y3="2.10757"
                           yFract="0.24971209"
                           z3="8.53665"
                           zFract="0.38418767"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.21155"
                           xFract="0.49899882"
                           y3="2.09416"
                           yFract="0.24812322"
                           z3="6.40055"
                           zFract="0.28805356"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34344"
                           xFract="0.75159242"
                           y3="8.43518"
                           yFract="0.99942891"
                           z3="6.38649"
                           zFract="0.28742079"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30491"
                           xFract="0.51006043"
                           y3="8.40094"
                           yFract="0.99537204"
                           z3="4.21994"
                           zFract="0.18991629"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.15416"
                           xFract="0.49219905"
                           y3="0.08174"
                           yFract="0.00968483"
                           z3="8.44808"
                           zFract="0.38020162"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32693"
                           xFract="0.74963626"
                           y3="2.12133"
                           yFract="0.25134242"
                           z3="4.23626"
                           zFract="0.19065077"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33526"
                           xFract="0.75062322"
                           y3="2.10735"
                           yFract="0.24968602"
                           z3="8.63726"
                           zFract="0.38871557"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02371"
                           xFract="0.00280924"
                           y3="6.31629"
                           yFract="0.74837559"
                           z3="6.45297"
                           zFract="0.29041269"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07956"
                           xFract="0.24639336"
                           y3="4.23049"
                           yFract="0.50124289"
                           z3="6.32501"
                           zFract="0.28465392"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.38731"
                           xFract="0.99375711"
                           y3="4.26127"
                           yFract="0.50488981"
                           z3="4.22587"
                           zFract="0.19018317"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36501"
                           xFract="0.99111493"
                           y3="4.18574"
                           yFract="0.49594076"
                           z3="8.75809"
                           zFract="0.39415347"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14617"
                           xFract="0.25428555"
                           y3="6.31381"
                           yFract="0.74808175"
                           z3="4.20761"
                           zFract="0.18936139"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16286"
                           xFract="0.25626303"
                           y3="6.32574"
                           yFract="0.74949526"
                           z3="8.53254"
                           zFract="0.3840027"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.21159"
                           xFract="0.49900355"
                           y3="6.35871"
                           yFract="0.75340166"
                           z3="6.23031"
                           zFract="0.28039199"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.37704"
                           xFract="0.75557346"
                           y3="4.22486"
                           yFract="0.50057583"
                           z3="6.48029"
                           zFract="0.29164221"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.26822"
                           xFract="0.50571327"
                           y3="4.26385"
                           yFract="0.5051955"
                           z3="4.22178"
                           zFract="0.1899991"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22896"
                           xFract="0.50106161"
                           y3="4.11912"
                           yFract="0.48804739"
                           z3="8.57936"
                           zFract="0.38610981"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28166"
                           xFract="0.74427251"
                           y3="6.3110"
                           yFract="0.74774882"
                           z3="4.20861"
                           zFract="0.18940639"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.2600"
                           xFract="0.74170616"
                           y3="6.31795"
                           yFract="0.74857227"
                           z3="8.64958"
                           zFract="0.38927003"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02457"
                           xFract="0.00291114"
                           y3="4.2326"
                           yFract="0.50149289"
                           z3="9.74599"
                           zFract="0.43861341"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19718"
                           xFract="0.49729621"
                           y3="2.0896"
                           yFract="0.24758294"
                           z3="8.49333"
                           zFract="0.38223807"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.1821"
                           xFract="0.49550948"
                           y3="8.42566"
                           yFract="0.99830095"
                           z3="6.36449"
                           zFract="0.28643069"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22673"
                           xFract="0.50079739"
                           y3="6.34295"
                           yFract="0.75153436"
                           z3="4.22116"
                           zFract="0.1899712"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.31923"
                           xFract="0.74872393"
                           y3="4.22428"
                           yFract="0.50050711"
                           z3="4.21366"
                           zFract="0.18963366"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03912"
                           xFract="0.00463507"
                           y3="8.4359"
                           yFract="0.99951422"
                           z3="6.40268"
                           zFract="0.28814941"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12062"
                           xFract="0.25125829"
                           y3="2.09436"
                           yFract="0.24814692"
                           z3="6.39314"
                           zFract="0.28772007"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04758"
                           xFract="0.00563744"
                           y3="1.98234"
                           yFract="0.23487441"
                           z3="8.4987"
                           zFract="0.38247975"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.15422"
                           xFract="0.25523934"
                           y3="6.35294"
                           yFract="0.75271801"
                           z3="6.3667"
                           zFract="0.28653015"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33028"
                           xFract="0.75003318"
                           y3="8.43598"
                           yFract="0.9995237"
                           z3="4.23936"
                           zFract="0.19079028"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.19553"
                           xFract="0.73406754"
                           y3="4.21816"
                           yFract="0.49978199"
                           z3="8.50239"
                           zFract="0.38264581"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09804"
                           xFract="0.24858294"
                           y3="0.01272"
                           yFract="0.00150711"
                           z3="4.20857"
                           zFract="0.18940459"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18327"
                           xFract="0.4956481"
                           y3="6.33664"
                           yFract="0.75078673"
                           z3="8.69115"
                           zFract="0.39114086"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1411"
                           xFract="0.25368483"
                           y3="8.43782"
                           yFract="0.99974171"
                           z3="8.62975"
                           zFract="0.38837759"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00407"
                           xFract="0.00048223"
                           y3="2.0830"
                           yFract="0.24680095"
                           z3="4.25022"
                           zFract="0.19127903"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.2305"
                           xFract="0.26427725"
                           y3="4.21694"
                           yFract="0.49963744"
                           z3="8.66242"
                           zFract="0.38984788"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.06643"
                           xFract="0.00787085"
                           y3="6.43584"
                           yFract="0.76254028"
                           z3="8.50947"
                           zFract="0.38296445"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1793"
                           xFract="0.49517773"
                           y3="4.26179"
                           yFract="0.50495142"
                           z3="6.4156"
                           zFract="0.28873087"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21528"
                           xFract="0.49944076"
                           y3="2.09719"
                           yFract="0.24848223"
                           z3="4.23191"
                           zFract="0.190455"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.28508"
                           xFract="0.74467773"
                           y3="8.42871"
                           yFract="0.99866232"
                           z3="8.5066"
                           zFract="0.38283528"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33725"
                           xFract="0.750859"
                           y3="2.09958"
                           yFract="0.2487654"
                           z3="6.40093"
                           zFract="0.28807066"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28363"
                           xFract="0.74450592"
                           y3="6.3416"
                           yFract="0.75137441"
                           z3="6.41834"
                           zFract="0.28885419"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02969"
                           xFract="0.00351777"
                           y3="4.20851"
                           yFract="0.49863863"
                           z3="6.28137"
                           zFract="0.28268992"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.11138"
                           xFract="0.25016351"
                           y3="4.21451"
                           yFract="0.49934953"
                           z3="4.23492"
                           zFract="0.19059046"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42522"
                           xFract="0.99824882"
                           y3="6.34714"
                           yFract="0.75203081"
                           z3="4.26259"
                           zFract="0.19183573"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02613"
                           xFract="0.00309597"
                           y3="2.12202"
                           yFract="0.25142417"
                           z3="6.50754"
                           zFract="0.29286859"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1012"
                           xFract="0.24895735"
                           y3="8.4374"
                           yFract="0.99969194"
                           z3="6.20224"
                           zFract="0.27912871"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34427"
                           xFract="0.98865758"
                           y3="8.39392"
                           yFract="0.99454028"
                           z3="4.31843"
                           zFract="0.19434878"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05901"
                           xFract="0.00699171"
                           y3="8.42488"
                           yFract="0.99820853"
                           z3="8.58016"
                           zFract="0.38614581"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11573"
                           xFract="0.25067891"
                           y3="2.14099"
                           yFract="0.2536718"
                           z3="4.30346"
                           zFract="0.19367507"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12929"
                           xFract="0.25228555"
                           y3="2.10979"
                           yFract="0.24997512"
                           z3="8.53604"
                           zFract="0.38416022"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.21021"
                           xFract="0.49884005"
                           y3="2.09511"
                           yFract="0.24823578"
                           z3="6.40511"
                           zFract="0.28825878"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3446"
                           xFract="0.75172986"
                           y3="8.43505"
                           yFract="0.99941351"
                           z3="6.38556"
                           zFract="0.28737894"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30524"
                           xFract="0.51009953"
                           y3="8.40478"
                           yFract="0.99582701"
                           z3="4.22003"
                           zFract="0.18992034"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.15904"
                           xFract="0.49277725"
                           y3="0.08041"
                           yFract="0.00952725"
                           z3="8.4508"
                           zFract="0.38032403"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32755"
                           xFract="0.74970972"
                           y3="2.12157"
                           yFract="0.25137085"
                           z3="4.23613"
                           zFract="0.19064491"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33001"
                           xFract="0.75000118"
                           y3="2.10098"
                           yFract="0.24893128"
                           z3="8.63639"
                           zFract="0.38867642"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02382"
                           xFract="0.00282227"
                           y3="6.31786"
                           yFract="0.74856161"
                           z3="6.45147"
                           zFract="0.29034518"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08403"
                           xFract="0.24692299"
                           y3="4.23095"
                           yFract="0.50129739"
                           z3="6.32513"
                           zFract="0.28465932"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.38527"
                           xFract="0.9935154"
                           y3="4.26502"
                           yFract="0.50533412"
                           z3="4.21333"
                           zFract="0.18961881"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35855"
                           xFract="0.99034953"
                           y3="4.18427"
                           yFract="0.49576659"
                           z3="8.76904"
                           zFract="0.39464626"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14201"
                           xFract="0.25379265"
                           y3="6.31072"
                           yFract="0.74771564"
                           z3="4.20865"
                           zFract="0.18940819"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16572"
                           xFract="0.2566019"
                           y3="6.32146"
                           yFract="0.74898815"
                           z3="8.53281"
                           zFract="0.38401485"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20969"
                           xFract="0.49877844"
                           y3="6.35742"
                           yFract="0.75324882"
                           z3="6.2330"
                           zFract="0.28051305"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.37678"
                           xFract="0.75554265"
                           y3="4.22546"
                           yFract="0.50064692"
                           z3="6.47372"
                           zFract="0.29134653"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2699"
                           xFract="0.50591232"
                           y3="4.25966"
                           yFract="0.50469905"
                           z3="4.22355"
                           zFract="0.19007876"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22207"
                           xFract="0.50024526"
                           y3="4.1194"
                           yFract="0.48808057"
                           z3="8.57921"
                           zFract="0.38610306"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28468"
                           xFract="0.74463033"
                           y3="6.31046"
                           yFract="0.74768483"
                           z3="4.21011"
                           zFract="0.1894739"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25838"
                           xFract="0.74151422"
                           y3="6.32184"
                           yFract="0.74903318"
                           z3="8.64919"
                           zFract="0.38925248"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a71" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a32 a48" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.03118"
                           xFract="0.00369431"
                           y3="4.23668"
                           yFract="0.5019763"
                           z3="9.78999"
                           zFract="0.44059361"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20024"
                           xFract="0.49765877"
                           y3="2.07803"
                           yFract="0.24621209"
                           z3="8.49784"
                           zFract="0.38244104"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18199"
                           xFract="0.49549645"
                           y3="8.42699"
                           yFract="0.99845853"
                           z3="6.36702"
                           zFract="0.28654455"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22718"
                           xFract="0.50085071"
                           y3="6.34159"
                           yFract="0.75137322"
                           z3="4.22204"
                           zFract="0.1900108"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.31586"
                           xFract="0.74832464"
                           y3="4.22441"
                           yFract="0.50052251"
                           z3="4.21533"
                           zFract="0.18970882"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03654"
                           xFract="0.00432938"
                           y3="8.43691"
                           yFract="0.99963389"
                           z3="6.39088"
                           zFract="0.28761836"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11528"
                           xFract="0.25062559"
                           y3="2.09976"
                           yFract="0.24878673"
                           z3="6.39829"
                           zFract="0.28795185"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03742"
                           xFract="0.00443365"
                           y3="1.99503"
                           yFract="0.23637796"
                           z3="8.50432"
                           zFract="0.38273267"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14719"
                           xFract="0.2544064"
                           y3="6.34683"
                           yFract="0.75199408"
                           z3="6.36835"
                           zFract="0.28660441"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33128"
                           xFract="0.75015166"
                           y3="8.4353"
                           yFract="0.99944313"
                           z3="4.23835"
                           zFract="0.19074482"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.23365"
                           xFract="0.73858412"
                           y3="4.21467"
                           yFract="0.49936848"
                           z3="8.50319"
                           zFract="0.38268182"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09811"
                           xFract="0.24859123"
                           y3="0.01217"
                           yFract="0.00144194"
                           z3="4.20717"
                           zFract="0.18934158"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18455"
                           xFract="0.49579976"
                           y3="6.3449"
                           yFract="0.7517654"
                           z3="8.69374"
                           zFract="0.39125743"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.15155"
                           xFract="0.25492299"
                           y3="0.00098"
                           yFract="0.00011611"
                           z3="8.63356"
                           zFract="0.38854905"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0064"
                           xFract="0.00075829"
                           y3="2.07615"
                           yFract="0.24598934"
                           z3="4.24781"
                           zFract="0.19117057"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23006"
                           xFract="0.26422512"
                           y3="4.21892"
                           yFract="0.49987204"
                           z3="8.65285"
                           zFract="0.38941719"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05911"
                           xFract="0.00700355"
                           y3="6.41521"
                           yFract="0.76009597"
                           z3="8.50065"
                           zFract="0.38256751"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17605"
                           xFract="0.49479265"
                           y3="4.25875"
                           yFract="0.50459123"
                           z3="6.40067"
                           zFract="0.28805896"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21472"
                           xFract="0.49937441"
                           y3="2.09612"
                           yFract="0.24835545"
                           z3="4.23077"
                           zFract="0.19040369"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27107"
                           xFract="0.74301777"
                           y3="8.43152"
                           yFract="0.99899526"
                           z3="8.50992"
                           zFract="0.3829847"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34225"
                           xFract="0.75145142"
                           y3="2.10524"
                           yFract="0.24943602"
                           z3="6.40493"
                           zFract="0.28825068"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29062"
                           xFract="0.74533412"
                           y3="6.33561"
                           yFract="0.75066469"
                           z3="6.41892"
                           zFract="0.28888029"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02155"
                           xFract="0.00255332"
                           y3="4.20612"
                           yFract="0.49835545"
                           z3="6.26811"
                           zFract="0.28209316"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.12007"
                           xFract="0.25119313"
                           y3="4.21596"
                           yFract="0.49952133"
                           z3="4.23804"
                           zFract="0.19073087"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42693"
                           xFract="0.99845142"
                           y3="6.35475"
                           yFract="0.75293246"
                           z3="4.26239"
                           zFract="0.19182673"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02777"
                           xFract="0.00329028"
                           y3="2.11601"
                           yFract="0.25071209"
                           z3="6.48732"
                           zFract="0.2919586"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10092"
                           xFract="0.24892417"
                           y3="8.43704"
                           yFract="0.99964929"
                           z3="6.20287"
                           zFract="0.27915707"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34435"
                           xFract="0.98866706"
                           y3="8.3891"
                           yFract="0.99396919"
                           z3="4.31819"
                           zFract="0.19433798"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04812"
                           xFract="0.00570142"
                           y3="0.00659"
                           yFract="0.00078081"
                           z3="8.5877"
                           zFract="0.38648515"/>
                     <atom elementType="O"
                           id="a49"
                           x3="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="2.14769"
                           yFract="0.25446564"
                           z3="4.30556"
                           zFract="0.19376958"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13875"
                           xFract="0.2534064"
                           y3="2.11422"
                           yFract="0.2505"
                           z3="8.53481"
                           zFract="0.38410486"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20751"
                           xFract="0.49852014"
                           y3="2.0970"
                           yFract="0.24845972"
                           z3="6.41425"
                           zFract="0.28867012"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34692"
                           xFract="0.75200474"
                           y3="8.43477"
                           yFract="0.99938033"
                           z3="6.38372"
                           zFract="0.28729613"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30592"
                           xFract="0.51018009"
                           y3="8.41246"
                           yFract="0.99673697"
                           z3="4.22022"
                           zFract="0.18992889"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1688"
                           xFract="0.49393365"
                           y3="0.07775"
                           yFract="0.00921209"
                           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="6.32879"
                           xFract="0.74985664"
                           y3="2.12206"
                           yFract="0.25142891"
                           z3="4.23588"
                           zFract="0.19063366"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.31949"
                           xFract="0.74875474"
                           y3="2.08824"
                           yFract="0.2474218"
                           z3="8.63466"
                           zFract="0.38859856"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02404"
                           xFract="0.00284834"
                           y3="6.32099"
                           yFract="0.74893246"
                           z3="6.44847"
                           zFract="0.29021017"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09297"
                           xFract="0.24798223"
                           y3="4.23188"
                           yFract="0.50140758"
                           z3="6.32538"
                           zFract="0.28467057"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3812"
                           xFract="0.99303318"
                           y3="4.27253"
                           yFract="0.50622393"
                           z3="4.18824"
                           zFract="0.18848965"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.34563"
                           xFract="0.98881872"
                           y3="4.18133"
                           yFract="0.49541825"
                           z3="8.79093"
                           zFract="0.39563141"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13369"
                           xFract="0.25280687"
                           y3="6.30454"
                           yFract="0.74698341"
                           z3="4.21072"
                           zFract="0.18950135"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17144"
                           xFract="0.25727962"
                           y3="6.3129"
                           yFract="0.74797393"
                           z3="8.53333"
                           zFract="0.38403825"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20588"
                           xFract="0.49832701"
                           y3="6.35486"
                           yFract="0.7529455"
                           z3="6.23837"
                           zFract="0.28075473"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.37625"
                           xFract="0.75547986"
                           y3="4.22667"
                           yFract="0.50079028"
                           z3="6.46056"
                           zFract="0.29075428"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27328"
                           xFract="0.5063128"
                           y3="4.25127"
                           yFract="0.50370498"
                           z3="4.22708"
                           zFract="0.19023762"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.20829"
                           xFract="0.49861256"
                           y3="4.11996"
                           yFract="0.48814692"
                           z3="8.57891"
                           zFract="0.38608956"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29074"
                           xFract="0.74534834"
                           y3="6.30936"
                           yFract="0.7475545"
                           z3="4.21312"
                           zFract="0.18960936"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25513"
                           xFract="0.74112915"
                           y3="6.3296"
                           yFract="0.74995261"
                           z3="8.64842"
                           zFract="0.38921782"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02854"
                           xFract="0.00338152"
                           y3="4.23505"
                           yFract="0.50178318"
                           z3="9.77242"
                           zFract="0.43980288"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19902"
                           xFract="0.49751422"
                           y3="2.08265"
                           yFract="0.24675948"
                           z3="8.49604"
                           zFract="0.38236004"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18203"
                           xFract="0.49550118"
                           y3="8.42646"
                           yFract="0.99839573"
                           z3="6.36601"
                           zFract="0.2864991"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2270"
                           xFract="0.50082938"
                           y3="6.34213"
                           yFract="0.7514372"
                           z3="4.22169"
                           zFract="0.18999505"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.31721"
                           xFract="0.7484846"
                           y3="4.22436"
                           yFract="0.50051659"
                           z3="4.21466"
                           zFract="0.18967867"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03757"
                           xFract="0.00445142"
                           y3="8.43651"
                           yFract="0.99958649"
                           z3="6.39559"
                           zFract="0.28783033"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11741"
                           xFract="0.25087796"
                           y3="2.09761"
                           yFract="0.24853199"
                           z3="6.39623"
                           zFract="0.28785914"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04148"
                           xFract="0.00491469"
                           y3="1.98996"
                           yFract="0.23577725"
                           z3="8.50207"
                           zFract="0.38263141"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1500"
                           xFract="0.25473934"
                           y3="6.34927"
                           yFract="0.75228318"
                           z3="6.36769"
                           zFract="0.28657471"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33088"
                           xFract="0.75010427"
                           y3="8.43557"
                           yFract="0.99947512"
                           z3="4.23876"
                           zFract="0.19076328"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.21843"
                           xFract="0.73678081"
                           y3="4.21606"
                           yFract="0.49953318"
                           z3="8.50287"
                           zFract="0.38266742"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09808"
                           xFract="0.24858768"
                           y3="0.01239"
                           yFract="0.00146801"
                           z3="4.20773"
                           zFract="0.18936679"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18404"
                           xFract="0.49573934"
                           y3="6.3416"
                           yFract="0.75137441"
                           z3="8.69271"
                           zFract="0.39121107"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.14738"
                           xFract="0.25442891"
                           y3="-0.00028"
                           yFract="-0.00003318"
                           z3="8.63204"
                           zFract="0.38848065"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00547"
                           xFract="0.0006481"
                           y3="2.07889"
                           yFract="0.24631398"
                           z3="4.24877"
                           zFract="0.19121377"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23024"
                           xFract="0.26424645"
                           y3="4.21813"
                           yFract="0.49977844"
                           z3="8.65667"
                           zFract="0.38958911"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.06203"
                           xFract="0.00734953"
                           y3="6.42344"
                           yFract="0.76107109"
                           z3="8.50417"
                           zFract="0.38272592"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17735"
                           xFract="0.49494668"
                           y3="4.25997"
                           yFract="0.50473578"
                           z3="6.40663"
                           zFract="0.28832718"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21494"
                           xFract="0.49940047"
                           y3="2.09655"
                           yFract="0.2484064"
                           z3="4.23123"
                           zFract="0.19042439"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27666"
                           xFract="0.74368009"
                           y3="8.4304"
                           yFract="0.99886256"
                           z3="8.5086"
                           zFract="0.38292529"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34026"
                           xFract="0.75121564"
                           y3="2.10298"
                           yFract="0.24916825"
                           z3="6.40334"
                           zFract="0.28817912"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28783"
                           xFract="0.74500355"
                           y3="6.3380"
                           yFract="0.75094787"
                           z3="6.41869"
                           zFract="0.28886994"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.0248"
                           xFract="0.00293839"
                           y3="4.20707"
                           yFract="0.49846801"
                           z3="6.27341"
                           zFract="0.28233168"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.1166"
                           xFract="0.25078199"
                           y3="4.21538"
                           yFract="0.49945261"
                           z3="4.23679"
                           zFract="0.19067462"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42624"
                           xFract="0.99836967"
                           y3="6.35171"
                           yFract="0.75257227"
                           z3="4.26247"
                           zFract="0.19183033"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02712"
                           xFract="0.00321327"
                           y3="2.11841"
                           yFract="0.25099645"
                           z3="6.49539"
                           zFract="0.29232178"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10103"
                           xFract="0.2489372"
                           y3="8.43718"
                           yFract="0.99966588"
                           z3="6.20262"
                           zFract="0.27914581"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34431"
                           xFract="0.98866232"
                           y3="8.39102"
                           yFract="0.99419668"
                           z3="4.31828"
                           zFract="0.19434203"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05247"
                           xFract="0.00621682"
                           y3="-0.00208"
                           yFract="-0.00024645"
                           z3="8.58469"
                           zFract="0.38634968"/>
                     <atom elementType="O"
                           id="a49"
                           x3="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="2.14501"
                           yFract="0.2541481"
                           z3="4.30472"
                           zFract="0.19373177"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13498"
                           xFract="0.25295972"
                           y3="2.11245"
                           yFract="0.25029028"
                           z3="8.5353"
                           zFract="0.38412691"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20859"
                           xFract="0.4986481"
                           y3="2.09625"
                           yFract="0.24837085"
                           z3="6.4106"
                           zFract="0.28850585"/>
                     <atom elementType="O"
                           id="a54"
                           x3="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="8.43488"
                           yFract="0.99939336"
                           z3="6.38446"
                           zFract="0.28732943"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30565"
                           xFract="0.5101481"
                           y3="8.40939"
                           yFract="0.99637322"
                           z3="4.22015"
                           zFract="0.18992574"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1649"
                           xFract="0.49347156"
                           y3="0.07881"
                           yFract="0.00933768"
                           z3="8.45408"
                           zFract="0.38047165"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32829"
                           xFract="0.74979739"
                           y3="2.12186"
                           yFract="0.25140521"
                           z3="4.23598"
                           zFract="0.19063816"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32369"
                           xFract="0.74925237"
                           y3="2.09333"
                           yFract="0.24802488"
                           z3="8.63535"
                           zFract="0.38862961"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02395"
                           xFract="0.00283768"
                           y3="6.31974"
                           yFract="0.74878436"
                           z3="6.44967"
                           zFract="0.29026418"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0894"
                           xFract="0.24755924"
                           y3="4.23151"
                           yFract="0.50136374"
                           z3="6.32528"
                           zFract="0.28466607"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.38283"
                           xFract="0.9932263"
                           y3="4.26953"
                           yFract="0.50586848"
                           z3="4.19826"
                           zFract="0.18894059"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35079"
                           xFract="0.98943009"
                           y3="4.18251"
                           yFract="0.49555806"
                           z3="8.78219"
                           zFract="0.39523807"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13701"
                           xFract="0.25320024"
                           y3="6.30701"
                           yFract="0.74727607"
                           z3="4.20989"
                           zFract="0.189464"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16915"
                           xFract="0.25700829"
                           y3="6.31632"
                           yFract="0.74837915"
                           z3="8.53312"
                           zFract="0.3840288"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2074"
                           xFract="0.49850711"
                           y3="6.35588"
                           yFract="0.75306635"
                           z3="6.23623"
                           zFract="0.28065842"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.37646"
                           xFract="0.75550474"
                           y3="4.22619"
                           yFract="0.50073341"
                           z3="6.46581"
                           zFract="0.29099055"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27193"
                           xFract="0.50615284"
                           y3="4.25462"
                           yFract="0.5041019"
                           z3="4.22567"
                           zFract="0.19017417"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21379"
                           xFract="0.49926422"
                           y3="4.11974"
                           yFract="0.48812085"
                           z3="8.57903"
                           zFract="0.38609496"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28832"
                           xFract="0.74506161"
                           y3="6.3098"
                           yFract="0.74760664"
                           z3="4.21192"
                           zFract="0.18955536"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25642"
                           xFract="0.74128199"
                           y3="6.3265"
                           yFract="0.74958531"
                           z3="8.64873"
                           zFract="0.38923177"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02939"
                           xFract="0.00348223"
                           y3="4.23561"
                           yFract="0.50184953"
                           z3="9.77478"
                           zFract="0.43990909"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19962"
                           xFract="0.49758531"
                           y3="2.08161"
                           yFract="0.24663626"
                           z3="8.49709"
                           zFract="0.38240729"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18208"
                           xFract="0.49550711"
                           y3="8.4266"
                           yFract="0.99841232"
                           z3="6.36628"
                           zFract="0.28651125"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22709"
                           xFract="0.50084005"
                           y3="6.34215"
                           yFract="0.75143957"
                           z3="4.22226"
                           zFract="0.1900207"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.31699"
                           xFract="0.74845853"
                           y3="4.22432"
                           yFract="0.50051185"
                           z3="4.21445"
                           zFract="0.18966922"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03701"
                           xFract="0.00438507"
                           y3="8.43688"
                           yFract="0.99963033"
                           z3="6.39401"
                           zFract="0.28775923"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11665"
                           xFract="0.25078791"
                           y3="2.09854"
                           yFract="0.24864218"
                           z3="6.3973"
                           zFract="0.28790729"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03964"
                           xFract="0.00469668"
                           y3="1.99229"
                           yFract="0.23605332"
                           z3="8.50262"
                           zFract="0.38265617"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14888"
                           xFract="0.25460664"
                           y3="6.34822"
                           yFract="0.75215877"
                           z3="6.36808"
                           zFract="0.28659226"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33083"
                           xFract="0.75009834"
                           y3="8.43546"
                           yFract="0.99946209"
                           z3="4.23867"
                           zFract="0.19075923"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.22319"
                           xFract="0.73734479"
                           y3="4.21533"
                           yFract="0.49944668"
                           z3="8.5029"
                           zFract="0.38266877"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09838"
                           xFract="0.24862322"
                           y3="0.01232"
                           yFract="0.00145972"
                           z3="4.20764"
                           zFract="0.18936274"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18446"
                           xFract="0.4957891"
                           y3="6.34288"
                           yFract="0.75152607"
                           z3="8.69319"
                           zFract="0.39123267"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.14856"
                           xFract="0.25456872"
                           y3="0.00028"
                           yFract="0.00003318"
                           z3="8.63288"
                           zFract="0.38851845"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0061"
                           xFract="0.00072275"
                           y3="2.07767"
                           yFract="0.24616943"
                           z3="4.24777"
                           zFract="0.19116877"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23001"
                           xFract="0.26421919"
                           y3="4.21851"
                           yFract="0.49982346"
                           z3="8.65454"
                           zFract="0.38949325"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.06067"
                           xFract="0.00718839"
                           y3="6.42184"
                           yFract="0.76088152"
                           z3="8.50236"
                           zFract="0.38264446"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17701"
                           xFract="0.4949064"
                           y3="4.25924"
                           yFract="0.50464929"
                           z3="6.40396"
                           zFract="0.28820702"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21487"
                           xFract="0.49939218"
                           y3="2.09601"
                           yFract="0.24834242"
                           z3="4.23113"
                           zFract="0.19041989"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27453"
                           xFract="0.74342773"
                           y3="8.43068"
                           yFract="0.99889573"
                           z3="8.50927"
                           zFract="0.38295545"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34077"
                           xFract="0.75127607"
                           y3="2.10355"
                           yFract="0.24923578"
                           z3="6.40382"
                           zFract="0.28820072"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28866"
                           xFract="0.7451019"
                           y3="6.33736"
                           yFract="0.75087204"
                           z3="6.41865"
                           zFract="0.28886814"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02379"
                           xFract="0.00281872"
                           y3="4.2065"
                           yFract="0.49840047"
                           z3="6.2686"
                           zFract="0.28211521"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.11817"
                           xFract="0.25096801"
                           y3="4.21572"
                           yFract="0.49949289"
                           z3="4.23711"
                           zFract="0.19068902"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42671"
                           xFract="0.99842536"
                           y3="6.35285"
                           yFract="0.75270735"
                           z3="4.26189"
                           zFract="0.19180423"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02736"
                           xFract="0.00324171"
                           y3="2.11788"
                           yFract="0.25093365"
                           z3="6.49189"
                           zFract="0.29216427"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10092"
                           xFract="0.24892417"
                           y3="8.43707"
                           yFract="0.99965284"
                           z3="6.20279"
                           zFract="0.27915347"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34449"
                           xFract="0.98868365"
                           y3="8.38995"
                           yFract="0.99406991"
                           z3="4.31787"
                           zFract="0.19432358"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05046"
                           xFract="0.00597867"
                           y3="0.00034"
                           yFract="0.00004028"
                           z3="8.58605"
                           zFract="0.38641089"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11602"
                           xFract="0.25071327"
                           y3="2.14661"
                           yFract="0.25433768"
                           z3="4.30528"
                           zFract="0.19375698"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13662"
                           xFract="0.25315403"
                           y3="2.11362"
                           yFract="0.25042891"
                           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="4.20823"
                           xFract="0.49860545"
                           y3="2.09656"
                           yFract="0.24840758"
                           z3="6.4127"
                           zFract="0.28860036"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34639"
                           xFract="0.75194194"
                           y3="8.43483"
                           yFract="0.99938744"
                           z3="6.38392"
                           zFract="0.28730513"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30555"
                           xFract="0.51013626"
                           y3="8.41098"
                           yFract="0.99656161"
                           z3="4.22021"
                           zFract="0.18992844"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16678"
                           xFract="0.49369431"
                           y3="0.07793"
                           yFract="0.00923341"
                           z3="8.45558"
                           zFract="0.38053915"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32868"
                           xFract="0.7498436"
                           y3="2.12196"
                           yFract="0.25141706"
                           z3="4.23599"
                           zFract="0.19063861"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32137"
                           xFract="0.74897749"
                           y3="2.09151"
                           yFract="0.24780924"
                           z3="8.63479"
                           zFract="0.38860441"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02407"
                           xFract="0.0028519"
                           y3="6.3198"
                           yFract="0.74879147"
                           z3="6.44935"
                           zFract="0.29024977"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0898"
                           xFract="0.24760664"
                           y3="4.23163"
                           yFract="0.50137796"
                           z3="6.32533"
                           zFract="0.28466832"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.38199"
                           xFract="0.99312678"
                           y3="4.27135"
                           yFract="0.50608412"
                           z3="4.19372"
                           zFract="0.18873627"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.34849"
                           xFract="0.98915758"
                           y3="4.18196"
                           yFract="0.49549289"
                           z3="8.79696"
                           zFract="0.39590279"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13538"
                           xFract="0.25300711"
                           y3="6.30562"
                           yFract="0.74711137"
                           z3="4.21032"
                           zFract="0.18948335"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16966"
                           xFract="0.25706872"
                           y3="6.31449"
                           yFract="0.74816232"
                           z3="8.53322"
                           zFract="0.3840333"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20682"
                           xFract="0.49843839"
                           y3="6.35541"
                           yFract="0.75301066"
                           z3="6.23729"
                           zFract="0.28070612"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.37693"
                           xFract="0.75556043"
                           y3="4.22625"
                           yFract="0.50074052"
                           z3="6.46358"
                           zFract="0.29089019"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27272"
                           xFract="0.50624645"
                           y3="4.25264"
                           yFract="0.5038673"
                           z3="4.2263"
                           zFract="0.19020252"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21437"
                           xFract="0.49933294"
                           y3="4.11954"
                           yFract="0.48809716"
                           z3="8.5785"
                           zFract="0.38607111"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28936"
                           xFract="0.74518483"
                           y3="6.30961"
                           yFract="0.74758412"
                           z3="4.21266"
                           zFract="0.18958866"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25608"
                           xFract="0.74124171"
                           y3="6.32757"
                           yFract="0.74971209"
                           z3="8.64839"
                           zFract="0.38921647"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.03148"
                           xFract="0.00372986"
                           y3="4.23698"
                           yFract="0.50201185"
                           z3="9.78064"
                           zFract="0.44017282"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20109"
                           xFract="0.49775948"
                           y3="2.07904"
                           yFract="0.24633175"
                           z3="8.4997"
                           zFract="0.38252475"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.1822"
                           xFract="0.49552133"
                           y3="8.42695"
                           yFract="0.99845379"
                           z3="6.36696"
                           zFract="0.28654185"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22731"
                           xFract="0.50086611"
                           y3="6.3422"
                           yFract="0.7514455"
                           z3="4.22368"
                           zFract="0.19008461"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.31644"
                           xFract="0.74839336"
                           y3="4.22424"
                           yFract="0.50050237"
                           z3="4.21392"
                           zFract="0.18964536"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03562"
                           xFract="0.00422038"
                           y3="8.4378"
                           yFract="0.99973934"
                           z3="6.39009"
                           zFract="0.28758281"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11477"
                           xFract="0.25056517"
                           y3="2.10086"
                           yFract="0.24891706"
                           z3="6.39994"
                           zFract="0.2880261"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0351"
                           xFract="0.00415877"
                           y3="1.99804"
                           yFract="0.2367346"
                           z3="8.50397"
                           zFract="0.38271692"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14611"
                           xFract="0.25427844"
                           y3="6.34564"
                           yFract="0.75185308"
                           z3="6.36904"
                           zFract="0.28663546"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33071"
                           xFract="0.75008412"
                           y3="8.43517"
                           yFract="0.99942773"
                           z3="4.23846"
                           zFract="0.19074977"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.23497"
                           xFract="0.73874052"
                           y3="4.21351"
                           yFract="0.49923104"
                           z3="8.50299"
                           zFract="0.38267282"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09913"
                           xFract="0.24871209"
                           y3="0.01216"
                           yFract="0.00144076"
                           z3="4.20741"
                           zFract="0.18935239"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18551"
                           xFract="0.49591351"
                           y3="6.34605"
                           yFract="0.75190166"
                           z3="8.69439"
                           zFract="0.39128668"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1515"
                           xFract="0.25491706"
                           y3="0.00166"
                           yFract="0.00019668"
                           z3="8.63498"
                           zFract="0.38861296"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00767"
                           xFract="0.00090877"
                           y3="2.07465"
                           yFract="0.24581161"
                           z3="4.2453"
                           zFract="0.19105761"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.22943"
                           xFract="0.26415047"
                           y3="4.21947"
                           yFract="0.4999372"
                           z3="8.64925"
                           zFract="0.38925518"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05729"
                           xFract="0.00678791"
                           y3="6.41788"
                           yFract="0.76041232"
                           z3="8.49787"
                           zFract="0.38244239"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17618"
                           xFract="0.49480806"
                           y3="4.25744"
                           yFract="0.50443602"
                           z3="6.39735"
                           zFract="0.28790954"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21468"
                           xFract="0.49936967"
                           y3="2.09468"
                           yFract="0.24818483"
                           z3="4.2309"
                           zFract="0.19040954"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26924"
                           xFract="0.74280095"
                           y3="8.43138"
                           yFract="0.99897867"
                           z3="8.51094"
                           zFract="0.3830306"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34203"
                           xFract="0.75142536"
                           y3="2.10497"
                           yFract="0.24940403"
                           z3="6.40502"
                           zFract="0.28825473"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29071"
                           xFract="0.74534479"
                           y3="6.33577"
                           yFract="0.75068365"
                           z3="6.41855"
                           zFract="0.28886364"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.0213"
                           xFract="0.0025237"
                           y3="4.20506"
                           yFract="0.49822986"
                           z3="6.2567"
                           zFract="0.28157966"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.12207"
                           xFract="0.25143009"
                           y3="4.21656"
                           yFract="0.49959242"
                           z3="4.23789"
                           zFract="0.19072412"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42785"
                           xFract="0.99856043"
                           y3="6.35567"
                           yFract="0.75304147"
                           z3="4.26046"
                           zFract="0.19173987"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02796"
                           xFract="0.0033128"
                           y3="2.11657"
                           yFract="0.25077844"
                           z3="6.48323"
                           zFract="0.29177453"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10065"
                           xFract="0.24889218"
                           y3="8.43679"
                           yFract="0.99961967"
                           z3="6.2032"
                           zFract="0.27917192"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34494"
                           xFract="0.98873697"
                           y3="8.38731"
                           yFract="0.99375711"
                           z3="4.31685"
                           zFract="0.19427768"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04547"
                           xFract="0.00538744"
                           y3="0.00633"
                           yFract="0.00075"
                           z3="8.58941"
                           zFract="0.38656211"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11617"
                           xFract="0.25073104"
                           y3="2.15057"
                           yFract="0.25480687"
                           z3="4.30667"
                           zFract="0.19381953"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1407"
                           xFract="0.25363744"
                           y3="2.11652"
                           yFract="0.25077251"
                           z3="8.53419"
                           zFract="0.38407696"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20735"
                           xFract="0.49850118"
                           y3="2.09734"
                           yFract="0.2485"
                           z3="6.41788"
                           zFract="0.28883348"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34738"
                           xFract="0.75205924"
                           y3="8.43469"
                           yFract="0.99937085"
                           z3="6.38258"
                           zFract="0.28724482"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30531"
                           xFract="0.51010782"
                           y3="8.41493"
                           yFract="0.99702962"
                           z3="4.22037"
                           zFract="0.18993564"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17141"
                           xFract="0.49424289"
                           y3="0.07573"
                           yFract="0.00897275"
                           z3="8.4593"
                           zFract="0.38070657"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32965"
                           xFract="0.74995853"
                           y3="2.1222"
                           yFract="0.2514455"
                           z3="4.2360"
                           zFract="0.19063906"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.31563"
                           xFract="0.74829739"
                           y3="2.08701"
                           yFract="0.24727607"
                           z3="8.63339"
                           zFract="0.3885414"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02435"
                           xFract="0.00288507"
                           y3="6.31996"
                           yFract="0.74881043"
                           z3="6.44857"
                           zFract="0.29021467"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09078"
                           xFract="0.24772275"
                           y3="4.23193"
                           yFract="0.50141351"
                           z3="6.32547"
                           zFract="0.28467462"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37993"
                           xFract="0.9928827"
                           y3="4.27586"
                           yFract="0.50661848"
                           z3="4.18248"
                           zFract="0.18823042"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.34279"
                           xFract="0.98848223"
                           y3="4.1806"
                           yFract="0.49533175"
                           z3="8.83354"
                           zFract="0.39754905"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13133"
                           xFract="0.25252725"
                           y3="6.30218"
                           yFract="0.74670379"
                           z3="4.21138"
                           zFract="0.18953105"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1709"
                           xFract="0.25721564"
                           y3="6.30998"
                           yFract="0.74762796"
                           z3="8.53346"
                           zFract="0.3840441"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20536"
                           xFract="0.4982654"
                           y3="6.35425"
                           yFract="0.75287322"
                           z3="6.23993"
                           zFract="0.28082493"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3781"
                           xFract="0.75569905"
                           y3="4.22642"
                           yFract="0.50076066"
                           z3="6.45804"
                           zFract="0.29064086"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27467"
                           xFract="0.50647749"
                           y3="4.24773"
                           yFract="0.50328555"
                           z3="4.22786"
                           zFract="0.19027273"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.21579"
                           xFract="0.49950118"
                           y3="4.11904"
                           yFract="0.48803791"
                           z3="8.57718"
                           zFract="0.3860117"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29192"
                           xFract="0.74548815"
                           y3="6.30915"
                           yFract="0.74752962"
                           z3="4.21451"
                           zFract="0.18967192"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25523"
                           xFract="0.741141"
                           y3="6.33022"
                           yFract="0.75002607"
                           z3="8.64755"
                           zFract="0.38917867"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.03449"
                           xFract="0.00408649"
                           y3="4.23864"
                           yFract="0.50220853"
                           z3="9.7958"
                           zFract="0.44085509"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20187"
                           xFract="0.4978519"
                           y3="2.07979"
                           yFract="0.24642062"
                           z3="8.50139"
                           zFract="0.38260081"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18236"
                           xFract="0.49554028"
                           y3="8.42692"
                           yFract="0.99845024"
                           z3="6.36711"
                           zFract="0.2865486"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22743"
                           xFract="0.50088033"
                           y3="6.34268"
                           yFract="0.75150237"
                           z3="4.22515"
                           zFract="0.19015077"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.31693"
                           xFract="0.74845142"
                           y3="4.22409"
                           yFract="0.5004846"
                           z3="4.21259"
                           zFract="0.18958551"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03482"
                           xFract="0.00412559"
                           y3="8.43849"
                           yFract="0.99982109"
                           z3="6.38924"
                           zFract="0.28754455"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11434"
                           xFract="0.25051422"
                           y3="2.1018"
                           yFract="0.24902844"
                           z3="6.40145"
                           zFract="0.28809406"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03295"
                           xFract="0.00390403"
                           y3="2.00094"
                           yFract="0.2370782"
                           z3="8.50394"
                           zFract="0.38271557"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14508"
                           xFract="0.2541564"
                           y3="6.34456"
                           yFract="0.75172512"
                           z3="6.36977"
                           zFract="0.28666832"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33031"
                           xFract="0.75003673"
                           y3="8.43506"
                           yFract="0.99941469"
                           z3="4.23855"
                           zFract="0.19075383"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.23728"
                           xFract="0.73901422"
                           y3="4.21262"
                           yFract="0.49912559"
                           z3="8.50302"
                           zFract="0.38267417"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10002"
                           xFract="0.24881754"
                           y3="0.01216"
                           yFract="0.00144076"
                           z3="4.20767"
                           zFract="0.18936409"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18634"
                           xFract="0.49601185"
                           y3="6.34707"
                           yFract="0.75202251"
                           z3="8.69497"
                           zFract="0.39131278"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1516"
                           xFract="0.25492891"
                           y3="0.0023"
                           yFract="0.00027251"
                           z3="8.63629"
                           zFract="0.38867192"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.00886"
                           xFract="0.00104976"
                           y3="2.07326"
                           yFract="0.24564692"
                           z3="4.24293"
                           zFract="0.19095095"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.22916"
                           xFract="0.26411848"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.64582"
                           zFract="0.38910081"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05554"
                           xFract="0.00658057"
                           y3="6.41941"
                           yFract="0.7605936"
                           z3="8.49551"
                           zFract="0.38233618"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17634"
                           xFract="0.49482701"
                           y3="4.25625"
                           yFract="0.50429502"
                           z3="6.39437"
                           zFract="0.28777543"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21464"
                           xFract="0.49936493"
                           y3="2.09339"
                           yFract="0.24803199"
                           z3="4.23103"
                           zFract="0.19041539"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26758"
                           xFract="0.74260427"
                           y3="8.4312"
                           yFract="0.99895735"
                           z3="8.51193"
                           zFract="0.38307516"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34178"
                           xFract="0.75139573"
                           y3="2.10474"
                           yFract="0.24937678"
                           z3="6.40512"
                           zFract="0.28825923"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29085"
                           xFract="0.74536137"
                           y3="6.33584"
                           yFract="0.75069194"
                           z3="6.41827"
                           zFract="0.28885104"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02081"
                           xFract="0.00246564"
                           y3="4.20417"
                           yFract="0.49812441"
                           z3="6.24628"
                           zFract="0.28111071"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.12398"
                           xFract="0.2516564"
                           y3="4.21711"
                           yFract="0.49965758"
                           z3="4.23769"
                           zFract="0.19071512"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.42866"
                           xFract="0.9986564"
                           y3="6.35658"
                           yFract="0.75314929"
                           z3="4.25867"
                           zFract="0.19165932"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02808"
                           xFract="0.00332701"
                           y3="2.11709"
                           yFract="0.25084005"
                           z3="6.47962"
                           zFract="0.29161206"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.1004"
                           xFract="0.24886256"
                           y3="8.43659"
                           yFract="0.99959597"
                           z3="6.20353"
                           zFract="0.27918677"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34551"
                           xFract="0.9888045"
                           y3="8.38567"
                           yFract="0.9935628"
                           z3="4.31565"
                           zFract="0.19422367"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04304"
                           xFract="0.00509953"
                           y3="0.00697"
                           yFract="0.00082583"
                           z3="8.59095"
                           zFract="0.38663141"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11621"
                           xFract="0.25073578"
                           y3="2.15326"
                           yFract="0.25512559"
                           z3="4.30769"
                           zFract="0.19386544"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14248"
                           xFract="0.25384834"
                           y3="2.11873"
                           yFract="0.25103436"
                           z3="8.53356"
                           zFract="0.3840486"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20719"
                           xFract="0.49848223"
                           y3="2.09758"
                           yFract="0.24852844"
                           z3="6.42109"
                           zFract="0.28897795"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34778"
                           xFract="0.75210664"
                           y3="8.43464"
                           yFract="0.99936493"
                           z3="6.38145"
                           zFract="0.28719397"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30472"
                           xFract="0.51003791"
                           y3="8.41722"
                           yFract="0.99730095"
                           z3="4.22054"
                           zFract="0.18994329"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17361"
                           xFract="0.49450355"
                           y3="0.07393"
                           yFract="0.00875948"
                           z3="8.46206"
                           zFract="0.38083078"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33046"
                           xFract="0.7500545"
                           y3="2.1223"
                           yFract="0.25145735"
                           z3="4.23611"
                           zFract="0.19064401"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.31217"
                           xFract="0.74788744"
                           y3="2.08581"
                           yFract="0.24713389"
                           z3="8.63199"
                           zFract="0.3884784"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02459"
                           xFract="0.00291351"
                           y3="6.31895"
                           yFract="0.74869076"
                           z3="6.4487"
                           zFract="0.29022052"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08883"
                           xFract="0.24749171"
                           y3="4.23195"
                           yFract="0.50141588"
                           z3="6.32566"
                           zFract="0.28468317"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37875"
                           xFract="0.99274289"
                           y3="4.27895"
                           yFract="0.5069846"
                           z3="4.1771"
                           zFract="0.1879883"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.33718"
                           xFract="0.98781754"
                           y3="4.17833"
                           yFract="0.4950628"
                           z3="8.84921"
                           zFract="0.39825428"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.12929"
                           xFract="0.25228555"
                           y3="6.29996"
                           yFract="0.74644076"
                           z3="4.21205"
                           zFract="0.18956121"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.17047"
                           xFract="0.25716469"
                           y3="6.30726"
                           yFract="0.74730569"
                           z3="8.53355"
                           zFract="0.38404815"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20485"
                           xFract="0.49820498"
                           y3="6.35368"
                           yFract="0.75280569"
                           z3="6.24129"
                           zFract="0.28088614"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.38006"
                           xFract="0.75593128"
                           y3="4.22618"
                           yFract="0.50073223"
                           z3="6.45582"
                           zFract="0.29054095"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27599"
                           xFract="0.50663389"
                           y3="4.24456"
                           yFract="0.50290995"
                           z3="4.22861"
                           zFract="0.19030648"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.22146"
                           xFract="0.50017299"
                           y3="4.1183"
                           yFract="0.48795024"
                           z3="8.57554"
                           zFract="0.38593789"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29292"
                           xFract="0.74560664"
                           y3="6.30903"
                           yFract="0.7475154"
                           z3="4.21578"
                           zFract="0.18972907"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25531"
                           xFract="0.74115047"
                           y3="6.33082"
                           yFract="0.75009716"
                           z3="8.64657"
                           zFract="0.38913456"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a63" order="S"/>
                     <bond atomRefs2="a11 a45" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.04355"
                           xFract="0.00515995"
                           y3="4.24361"
                           yFract="0.50279739"
                           z3="9.84126"
                           zFract="0.44290099"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2042"
                           xFract="0.49812796"
                           y3="2.08201"
                           yFract="0.24668365"
                           z3="8.50647"
                           zFract="0.38282943"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18282"
                           xFract="0.49559479"
                           y3="8.42683"
                           yFract="0.99843957"
                           z3="6.36755"
                           zFract="0.28656841"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2278"
                           xFract="0.50092417"
                           y3="6.34412"
                           yFract="0.75167299"
                           z3="4.22957"
                           zFract="0.19034968"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.31842"
                           xFract="0.74862796"
                           y3="4.22364"
                           yFract="0.50043128"
                           z3="4.20859"
                           zFract="0.18940549"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03241"
                           xFract="0.00384005"
                           y3="0.00058"
                           yFract="0.00006872"
                           z3="6.3867"
                           zFract="0.28743024"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11307"
                           xFract="0.25036374"
                           y3="2.10462"
                           yFract="0.24936256"
                           z3="6.4060"
                           zFract="0.28829883"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.02651"
                           xFract="0.003141"
                           y3="2.00964"
                           yFract="0.238109"
                           z3="8.50386"
                           zFract="0.38271197"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14199"
                           xFract="0.25379028"
                           y3="6.34134"
                           yFract="0.7513436"
                           z3="6.37195"
                           zFract="0.28676643"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3291"
                           xFract="0.74989336"
                           y3="8.43471"
                           yFract="0.99937322"
                           z3="4.23881"
                           zFract="0.19076553"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24422"
                           xFract="0.73983649"
                           y3="4.20992"
                           yFract="0.49880569"
                           z3="8.50314"
                           zFract="0.38267957"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10269"
                           xFract="0.24913389"
                           y3="0.01216"
                           yFract="0.00144076"
                           z3="4.20845"
                           zFract="0.18939919"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18883"
                           xFract="0.49630687"
                           y3="6.35013"
                           yFract="0.75238507"
                           z3="8.6967"
                           zFract="0.39139064"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1519"
                           xFract="0.25496445"
                           y3="0.0042"
                           yFract="0.00049763"
                           z3="8.64022"
                           zFract="0.38884878"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01245"
                           xFract="0.00147512"
                           y3="2.06906"
                           yFract="0.24514929"
                           z3="4.23583"
                           zFract="0.19063141"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.22833"
                           xFract="0.26402014"
                           y3="4.22158"
                           yFract="0.5001872"
                           z3="8.63556"
                           zFract="0.38863906"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05027"
                           xFract="0.00595616"
                           y3="6.42401"
                           yFract="0.76113863"
                           z3="8.48845"
                           zFract="0.38201845"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17679"
                           xFract="0.49488033"
                           y3="4.25267"
                           yFract="0.50387085"
                           z3="6.38544"
                           zFract="0.28737354"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21454"
                           xFract="0.49935308"
                           y3="2.08954"
                           yFract="0.24757583"
                           z3="4.23142"
                           zFract="0.19043294"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.2626"
                           xFract="0.74201422"
                           y3="8.43067"
                           yFract="0.99889455"
                           z3="8.51491"
                           zFract="0.38320927"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34105"
                           xFract="0.75130924"
                           y3="2.10404"
                           yFract="0.24929384"
                           z3="6.40542"
                           zFract="0.28827273"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29129"
                           xFract="0.74541351"
                           y3="6.33607"
                           yFract="0.75071919"
                           z3="6.41743"
                           zFract="0.28881323"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.01935"
                           xFract="0.00229265"
                           y3="4.20149"
                           yFract="0.49780687"
                           z3="6.2150"
                           zFract="0.27970297"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.12969"
                           xFract="0.25233294"
                           y3="4.21878"
                           yFract="0.49985545"
                           z3="4.23709"
                           zFract="0.19068812"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.4311"
                           xFract="0.9989455"
                           y3="6.35932"
                           yFract="0.75347393"
                           z3="4.2533"
                           zFract="0.19141764"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02843"
                           xFract="0.00336848"
                           y3="2.11864"
                           yFract="0.2510237"
                           z3="6.46879"
                           zFract="0.29112466"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09965"
                           xFract="0.2487737"
                           y3="8.43599"
                           yFract="0.99952488"
                           z3="6.2045"
                           zFract="0.27923042"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.34723"
                           xFract="0.98900829"
                           y3="8.38077"
                           yFract="0.99298223"
                           z3="4.31204"
                           zFract="0.19406121"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03575"
                           xFract="0.00423578"
                           y3="0.00891"
                           yFract="0.00105569"
                           z3="8.59554"
                           zFract="0.38683798"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11634"
                           xFract="0.25075118"
                           y3="2.16134"
                           yFract="0.25608294"
                           z3="4.31075"
                           zFract="0.19400315"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1478"
                           xFract="0.25447867"
                           y3="2.12539"
                           yFract="0.25182346"
                           z3="8.53167"
                           zFract="0.38396355"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20671"
                           xFract="0.49842536"
                           y3="2.0983"
                           yFract="0.24861374"
                           z3="6.43073"
                           zFract="0.28941179"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3490"
                           xFract="0.75225118"
                           y3="8.43449"
                           yFract="0.99934716"
                           z3="6.37804"
                           zFract="0.2870405"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30295"
                           xFract="0.5098282"
                           y3="8.42409"
                           yFract="0.99811493"
                           z3="4.22105"
                           zFract="0.18996625"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1802"
                           xFract="0.49528436"
                           y3="0.06852"
                           yFract="0.00811848"
                           z3="8.47035"
                           zFract="0.38120387"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3329"
                           xFract="0.7503436"
                           y3="2.12258"
                           yFract="0.25149052"
                           z3="4.23642"
                           zFract="0.19065797"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3018"
                           xFract="0.74665877"
                           y3="2.0822"
                           yFract="0.24670616"
                           z3="8.62778"
                           zFract="0.38828893"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0253"
                           xFract="0.00299763"
                           y3="6.31593"
                           yFract="0.74833294"
                           z3="6.4491"
                           zFract="0.29023852"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08296"
                           xFract="0.24679621"
                           y3="4.23201"
                           yFract="0.50142299"
                           z3="6.32625"
                           zFract="0.28470972"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37523"
                           xFract="0.99232583"
                           y3="4.28822"
                           yFract="0.50808294"
                           z3="4.16098"
                           zFract="0.18726283"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.32036"
                           xFract="0.98582464"
                           y3="4.17153"
                           yFract="0.49425711"
                           z3="8.89624"
                           zFract="0.40037084"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.12319"
                           xFract="0.2515628"
                           y3="6.29329"
                           yFract="0.74565047"
                           z3="4.21404"
                           zFract="0.18965077"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16918"
                           xFract="0.25701185"
                           y3="6.29907"
                           yFract="0.74633531"
                           z3="8.53382"
                           zFract="0.38406031"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20331"
                           xFract="0.49802251"
                           y3="6.35196"
                           yFract="0.7526019"
                           z3="6.24539"
                           zFract="0.28107066"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.38595"
                           xFract="0.75662915"
                           y3="4.22547"
                           yFract="0.5006481"
                           z3="6.44916"
                           zFract="0.29024122"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.27995"
                           xFract="0.50710308"
                           y3="4.23505"
                           yFract="0.50178318"
                           z3="4.23085"
                           zFract="0.19040729"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.23849"
                           xFract="0.50219076"
                           y3="4.11608"
                           yFract="0.4876872"
                           z3="8.57063"
                           zFract="0.38571692"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29591"
                           xFract="0.7459609"
                           y3="6.30867"
                           yFract="0.74747275"
                           z3="4.2196"
                           zFract="0.18990099"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25554"
                           xFract="0.74117773"
                           y3="6.33265"
                           yFract="0.75031398"
                           z3="8.64363"
                           zFract="0.38900225"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.06166"
                           xFract="0.00730569"
                           y3="4.25355"
                           yFract="0.50397512"
                           z3="9.93218"
                           zFract="0.4469928"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20886"
                           xFract="0.49868009"
                           y3="2.08647"
                           yFract="0.24721209"
                           z3="8.51664"
                           zFract="0.38328713"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18375"
                           xFract="0.49570498"
                           y3="8.42665"
                           yFract="0.99841825"
                           z3="6.36843"
                           zFract="0.28660801"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22853"
                           xFract="0.50101066"
                           y3="6.3470"
                           yFract="0.75201422"
                           z3="4.2384"
                           zFract="0.19074707"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32139"
                           xFract="0.74897986"
                           y3="4.22274"
                           yFract="0.50032464"
                           z3="4.20061"
                           zFract="0.18904635"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.02759"
                           xFract="0.00326896"
                           y3="0.00476"
                           yFract="0.00056398"
                           z3="6.38163"
                           zFract="0.28720207"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11052"
                           xFract="0.25006161"
                           y3="2.11027"
                           yFract="0.25003199"
                           z3="6.41508"
                           zFract="0.28870747"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01363"
                           xFract="0.00161493"
                           y3="2.02703"
                           yFract="0.24016943"
                           z3="8.5037"
                           zFract="0.38270477"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13582"
                           xFract="0.25305924"
                           y3="6.33489"
                           yFract="0.75057938"
                           z3="6.37631"
                           zFract="0.28696265"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3267"
                           xFract="0.749609"
                           y3="8.43401"
                           yFract="0.99929028"
                           z3="4.23933"
                           zFract="0.19078893"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25809"
                           xFract="0.74147986"
                           y3="4.20453"
                           yFract="0.49816706"
                           z3="8.50337"
                           zFract="0.38268992"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10804"
                           xFract="0.24976777"
                           y3="0.01217"
                           yFract="0.00144194"
                           z3="4.21001"
                           zFract="0.1894694"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.19381"
                           xFract="0.49689692"
                           y3="6.35626"
                           yFract="0.75311137"
                           z3="8.70017"
                           zFract="0.3915468"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.15252"
                           xFract="0.25503791"
                           y3="0.00802"
                           yFract="0.00095024"
                           z3="8.64808"
                           zFract="0.38920252"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01962"
                           xFract="0.00232464"
                           y3="2.06066"
                           yFract="0.24415403"
                           z3="4.22164"
                           zFract="0.1899928"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.22667"
                           xFract="0.26382346"
                           y3="4.22475"
                           yFract="0.5005628"
                           z3="8.61503"
                           zFract="0.38771512"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.03973"
                           xFract="0.00470735"
                           y3="6.43322"
                           yFract="0.76222986"
                           z3="8.47432"
                           zFract="0.38138254"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1777"
                           xFract="0.49498815"
                           y3="4.24551"
                           yFract="0.50302251"
                           z3="6.36757"
                           zFract="0.28656931"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21433"
                           xFract="0.4993282"
                           y3="2.08183"
                           yFract="0.24666232"
                           z3="4.2322"
                           zFract="0.19046805"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.25263"
                           xFract="0.74083294"
                           y3="8.42959"
                           yFract="0.99876659"
                           z3="8.52087"
                           zFract="0.3834775"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33957"
                           xFract="0.75113389"
                           y3="2.10266"
                           yFract="0.24913033"
                           z3="6.40601"
                           zFract="0.28829928"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29217"
                           xFract="0.74551777"
                           y3="6.33652"
                           yFract="0.75077251"
                           z3="6.41576"
                           zFract="0.28873807"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.01643"
                           xFract="0.00194668"
                           y3="4.19612"
                           yFract="0.49717062"
                           z3="6.15246"
                           zFract="0.27688839"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.14111"
                           xFract="0.25368602"
                           y3="4.22211"
                           yFract="0.50025"
                           z3="4.23589"
                           zFract="0.19063411"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43599"
                           xFract="0.99952488"
                           y3="6.36479"
                           yFract="0.75412204"
                           z3="4.24256"
                           zFract="0.19093429"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02915"
                           xFract="0.00345379"
                           y3="2.12175"
                           yFract="0.25139218"
                           z3="6.44712"
                           zFract="0.29014941"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09816"
                           xFract="0.24859716"
                           y3="8.43479"
                           yFract="0.9993827"
                           z3="6.20646"
                           zFract="0.27931863"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35067"
                           xFract="0.98941588"
                           y3="8.37098"
                           yFract="0.99182227"
                           z3="4.30483"
                           zFract="0.19373672"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02117"
                           xFract="0.00250829"
                           y3="0.01277"
                           yFract="0.00151303"
                           z3="8.60472"
                           zFract="0.38725113"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11658"
                           xFract="0.25077962"
                           y3="2.1775"
                           yFract="0.25799763"
                           z3="4.31687"
                           zFract="0.19427858"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15844"
                           xFract="0.25573934"
                           y3="2.13869"
                           yFract="0.25339929"
                           z3="8.5279"
                           zFract="0.38379388"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20575"
                           xFract="0.49831161"
                           y3="2.09974"
                           yFract="0.24878436"
                           z3="6.45002"
                           zFract="0.29027993"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.35144"
                           xFract="0.75254028"
                           y3="8.43418"
                           yFract="0.99931043"
                           z3="6.37122"
                           zFract="0.28673357"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29942"
                           xFract="0.50940995"
                           y3="8.43783"
                           yFract="0.99974289"
                           z3="4.22208"
                           zFract="0.1900126"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.19339"
                           xFract="0.49684716"
                           y3="0.05771"
                           yFract="0.00683768"
                           z3="8.48694"
                           zFract="0.3819505"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33778"
                           xFract="0.7509218"
                           y3="2.12314"
                           yFract="0.25155687"
                           z3="4.23706"
                           zFract="0.19068677"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28107"
                           xFract="0.74420261"
                           y3="2.07498"
                           yFract="0.24585071"
                           z3="8.61937"
                           zFract="0.38791044"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02671"
                           xFract="0.00316469"
                           y3="6.3099"
                           yFract="0.74761848"
                           z3="6.44991"
                           zFract="0.29027498"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07123"
                           xFract="0.2454064"
                           y3="4.23212"
                           yFract="0.50143602"
                           z3="6.32742"
                           zFract="0.28476238"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36819"
                           xFract="0.99149171"
                           y3="4.30676"
                           yFract="0.51027962"
                           z3="4.12873"
                           zFract="0.18581143"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.28671"
                           xFract="0.98183768"
                           y3="4.15792"
                           yFract="0.49264455"
                           z3="8.99029"
                           zFract="0.40460351"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11099"
                           xFract="0.2501173"
                           y3="6.27996"
                           yFract="0.74407109"
                           z3="4.21802"
                           zFract="0.18982988"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1666"
                           xFract="0.25670616"
                           y3="6.2827"
                           yFract="0.74439573"
                           z3="8.53436"
                           zFract="0.38408461"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20023"
                           xFract="0.49765758"
                           y3="6.34853"
                           yFract="0.7521955"
                           z3="6.25358"
                           zFract="0.28143924"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.39772"
                           xFract="0.7580237"
                           y3="4.22405"
                           yFract="0.50047986"
                           z3="6.43584"
                           zFract="0.28964176"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28786"
                           xFract="0.50804028"
                           y3="4.21602"
                           yFract="0.49952844"
                           z3="4.23533"
                           zFract="0.19060891"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27254"
                           xFract="0.50622512"
                           y3="4.11164"
                           yFract="0.48716114"
                           z3="8.56082"
                           zFract="0.38527543"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.30188"
                           xFract="0.74666825"
                           y3="6.30794"
                           yFract="0.74738626"
                           z3="4.22724"
                           zFract="0.19024482"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25602"
                           xFract="0.7412346"
                           y3="6.33629"
                           yFract="0.75074526"
                           z3="8.63775"
                           zFract="0.38873762"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.05549"
                           xFract="0.00657464"
                           y3="4.25017"
                           yFract="0.50357464"
                           z3="9.9012"
                           zFract="0.44559856"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20727"
                           xFract="0.49849171"
                           y3="2.08495"
                           yFract="0.24703199"
                           z3="8.51317"
                           zFract="0.38313096"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18343"
                           xFract="0.49566706"
                           y3="8.42671"
                           yFract="0.99842536"
                           z3="6.36813"
                           zFract="0.28659451"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22828"
                           xFract="0.50098104"
                           y3="6.34602"
                           yFract="0.7518981"
                           z3="4.23539"
                           zFract="0.19061161"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32037"
                           xFract="0.748859"
                           y3="4.22305"
                           yFract="0.50036137"
                           z3="4.20333"
                           zFract="0.18916877"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.02923"
                           xFract="0.00346327"
                           y3="0.00333"
                           yFract="0.00039455"
                           z3="6.38336"
                           zFract="0.28727993"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11139"
                           xFract="0.25016469"
                           y3="2.10835"
                           yFract="0.2498045"
                           z3="6.41199"
                           zFract="0.28856841"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.01802"
                           xFract="0.00213507"
                           y3="2.0211"
                           yFract="0.23946682"
                           z3="8.50376"
                           zFract="0.38270747"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13792"
                           xFract="0.25330806"
                           y3="6.33708"
                           yFract="0.75083886"
                           z3="6.37483"
                           zFract="0.28689604"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32752"
                           xFract="0.74970616"
                           y3="8.43425"
                           yFract="0.99931872"
                           z3="4.23915"
                           zFract="0.19078083"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25336"
                           xFract="0.74091943"
                           y3="4.20637"
                           yFract="0.49838507"
                           z3="8.50329"
                           zFract="0.38268632"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10622"
                           xFract="0.24955213"
                           y3="0.01217"
                           yFract="0.00144194"
                           z3="4.20948"
                           zFract="0.18944554"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.19211"
                           xFract="0.4966955"
                           y3="6.35417"
                           yFract="0.75286374"
                           z3="8.69899"
                           zFract="0.3914937"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.15231"
                           xFract="0.25501303"
                           y3="0.00672"
                           yFract="0.00079621"
                           z3="8.6454"
                           zFract="0.38908191"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01717"
                           xFract="0.00203436"
                           y3="2.06352"
                           yFract="0.24449289"
                           z3="4.22647"
                           zFract="0.19021017"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.22724"
                           xFract="0.263891"
                           y3="4.22367"
                           yFract="0.50043483"
                           z3="8.62202"
                           zFract="0.3880297"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04332"
                           xFract="0.0051327"
                           y3="6.43008"
                           yFract="0.76185782"
                           z3="8.47914"
                           zFract="0.38159946"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.17739"
                           xFract="0.49495142"
                           y3="4.24795"
                           yFract="0.50331161"
                           z3="6.37366"
                           zFract="0.28684338"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2144"
                           xFract="0.49933649"
                           y3="2.08445"
                           yFract="0.24697275"
                           z3="4.23193"
                           zFract="0.1904559"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.25602"
                           xFract="0.7412346"
                           y3="8.42996"
                           yFract="0.99881043"
                           z3="8.51884"
                           zFract="0.38338614"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34007"
                           xFract="0.75119313"
                           y3="2.10313"
                           yFract="0.24918602"
                           z3="6.40581"
                           zFract="0.28829028"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29187"
                           xFract="0.74548223"
                           y3="6.33637"
                           yFract="0.75075474"
                           z3="6.41633"
                           zFract="0.28876373"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.01743"
                           xFract="0.00206517"
                           y3="4.19795"
                           yFract="0.49738744"
                           z3="6.17377"
                           zFract="0.27784743"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13722"
                           xFract="0.25322512"
                           y3="4.22097"
                           yFract="0.50011493"
                           z3="4.2363"
                           zFract="0.19065257"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43432"
                           xFract="0.99932701"
                           y3="6.36293"
                           yFract="0.75390166"
                           z3="4.24622"
                           zFract="0.19109901"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0289"
                           xFract="0.00342417"
                           y3="2.12069"
                           yFract="0.25126659"
                           z3="6.4545"
                           zFract="0.29048155"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09867"
                           xFract="0.24865758"
                           y3="8.4352"
                           yFract="0.99943128"
                           z3="6.20579"
                           zFract="0.27928848"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3495"
                           xFract="0.98927725"
                           y3="8.37431"
                           yFract="0.99221682"
                           z3="4.30728"
                           zFract="0.19384698"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02614"
                           xFract="0.00309716"
                           y3="0.01146"
                           yFract="0.00135782"
                           z3="8.60159"
                           zFract="0.38711026"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1165"
                           xFract="0.25077014"
                           y3="2.1720"
                           yFract="0.25734597"
                           z3="4.31479"
                           zFract="0.19418497"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15482"
                           xFract="0.25531043"
                           y3="2.13416"
                           yFract="0.25286256"
                           z3="8.52918"
                           zFract="0.38385149"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20608"
                           xFract="0.49835071"
                           y3="2.09925"
                           yFract="0.2487263"
                           z3="6.44345"
                           zFract="0.28998425"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.35061"
                           xFract="0.75244194"
                           y3="8.43428"
                           yFract="0.99932227"
                           z3="6.37355"
                           zFract="0.28683843"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.30062"
                           xFract="0.50955213"
                           y3="8.43314"
                           yFract="0.9991872"
                           z3="4.22173"
                           zFract="0.18999685"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1889"
                           xFract="0.49631517"
                           y3="0.06139"
                           yFract="0.0072737"
                           z3="8.48129"
                           zFract="0.38169622"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33612"
                           xFract="0.75072512"
                           y3="2.12295"
                           yFract="0.25153436"
                           z3="4.23684"
                           zFract="0.19067687"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28813"
                           xFract="0.7450391"
                           y3="2.07744"
                           yFract="0.24614218"
                           z3="8.62224"
                           zFract="0.3880396"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02623"
                           xFract="0.00310782"
                           y3="6.31196"
                           yFract="0.74786256"
                           z3="6.44964"
                           zFract="0.29026283"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07523"
                           xFract="0.24588033"
                           y3="4.23208"
                           yFract="0.50143128"
                           z3="6.32702"
                           zFract="0.28474437"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37059"
                           xFract="0.99177607"
                           y3="4.30044"
                           yFract="0.50953081"
                           z3="4.13971"
                           zFract="0.18630558"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29817"
                           xFract="0.9831955"
                           y3="4.16256"
                           yFract="0.49319431"
                           z3="8.95825"
                           zFract="0.40316157"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11515"
                           xFract="0.25061019"
                           y3="6.28451"
                           yFract="0.74461019"
                           z3="4.21666"
                           zFract="0.18976868"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16748"
                           xFract="0.25681043"
                           y3="6.28827"
                           yFract="0.74505569"
                           z3="8.53418"
                           zFract="0.38407651"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20128"
                           xFract="0.49778199"
                           y3="6.3497"
                           yFract="0.75233412"
                           z3="6.25079"
                           zFract="0.28131368"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.39371"
                           xFract="0.75754858"
                           y3="4.22453"
                           yFract="0.50053673"
                           z3="6.44038"
                           zFract="0.28984608"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28517"
                           xFract="0.50772156"
                           y3="4.2225"
                           yFract="0.50029621"
                           z3="4.2338"
                           zFract="0.19054005"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26094"
                           xFract="0.50485071"
                           y3="4.11315"
                           yFract="0.48734005"
                           z3="8.56416"
                           zFract="0.38542574"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29985"
                           xFract="0.74642773"
                           y3="6.30819"
                           yFract="0.74741588"
                           z3="4.22464"
                           zFract="0.19012781"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25586"
                           xFract="0.74121564"
                           y3="6.33505"
                           yFract="0.75059834"
                           z3="8.63975"
                           zFract="0.38882763"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.05685"
                           xFract="0.00673578"
                           y3="4.25149"
                           yFract="0.50373104"
                           z3="9.9153"
                           zFract="0.44623312"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20782"
                           xFract="0.49855687"
                           y3="2.08849"
                           yFract="0.24745142"
                           z3="8.51265"
                           zFract="0.38310756"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.1831"
                           xFract="0.49562796"
                           y3="8.42662"
                           yFract="0.99841469"
                           z3="6.37041"
                           zFract="0.28669712"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22815"
                           xFract="0.50096564"
                           y3="6.34592"
                           yFract="0.75188626"
                           z3="4.23558"
                           zFract="0.19062016"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32175"
                           xFract="0.74902251"
                           y3="4.22296"
                           yFract="0.50035071"
                           z3="4.20137"
                           zFract="0.18908056"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03003"
                           xFract="0.00355806"
                           y3="0.00245"
                           yFract="0.00029028"
                           z3="6.38722"
                           zFract="0.28745365"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11378"
                           xFract="0.25044787"
                           y3="2.10628"
                           yFract="0.24955924"
                           z3="6.41101"
                           zFract="0.2885243"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.02034"
                           xFract="0.00240995"
                           y3="2.01937"
                           yFract="0.23926185"
                           z3="8.50296"
                           zFract="0.38267147"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13946"
                           xFract="0.25349052"
                           y3="6.33901"
                           yFract="0.75106754"
                           z3="6.37591"
                           zFract="0.28694464"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3284"
                           xFract="0.74981043"
                           y3="8.43437"
                           yFract="0.99933294"
                           z3="4.23963"
                           zFract="0.19080243"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24621"
                           xFract="0.74007227"
                           y3="4.20904"
                           yFract="0.49870142"
                           z3="8.50435"
                           zFract="0.38273402"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10636"
                           xFract="0.24956872"
                           y3="0.01253"
                           yFract="0.0014846"
                           z3="4.21105"
                           zFract="0.1895162"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.19196"
                           xFract="0.49667773"
                           y3="6.35019"
                           yFract="0.75239218"
                           z3="8.69802"
                           zFract="0.39145005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.14857"
                           xFract="0.25456991"
                           y3="0.00581"
                           yFract="0.00068839"
                           z3="8.64497"
                           zFract="0.38906256"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01773"
                           xFract="0.00210071"
                           y3="2.06482"
                           yFract="0.24464692"
                           z3="4.22487"
                           zFract="0.19013816"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.22996"
                           xFract="0.26421327"
                           y3="4.22343"
                           yFract="0.5004064"
                           z3="8.62182"
                           zFract="0.3880207"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04386"
                           xFract="0.00519668"
                           y3="6.43431"
                           yFract="0.762359"
                           z3="8.48309"
                           zFract="0.38177723"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18001"
                           xFract="0.49526185"
                           y3="4.24817"
                           yFract="0.50333768"
                           z3="6.37912"
                           zFract="0.28708911"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21465"
                           xFract="0.49936611"
                           y3="2.08469"
                           yFract="0.24700118"
                           z3="4.23306"
                           zFract="0.19050675"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26197"
                           xFract="0.74193957"
                           y3="8.42829"
                           yFract="0.99861256"
                           z3="8.51876"
                           zFract="0.38338254"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33712"
                           xFract="0.7508436"
                           y3="2.1008"
                           yFract="0.24890995"
                           z3="6.40418"
                           zFract="0.28821692"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28974"
                           xFract="0.74522986"
                           y3="6.33773"
                           yFract="0.75091588"
                           z3="6.4168"
                           zFract="0.28878488"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.01851"
                           xFract="0.00219313"
                           y3="4.19868"
                           yFract="0.49747393"
                           z3="6.17143"
                           zFract="0.27774212"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13602"
                           xFract="0.25308294"
                           y3="4.22082"
                           yFract="0.50009716"
                           z3="4.23385"
                           zFract="0.1905423"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43392"
                           xFract="0.99927962"
                           y3="6.36117"
                           yFract="0.75369313"
                           z3="4.24509"
                           zFract="0.19104815"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02794"
                           xFract="0.00331043"
                           y3="2.12225"
                           yFract="0.25145142"
                           z3="6.46185"
                           zFract="0.29081233"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09876"
                           xFract="0.24866825"
                           y3="8.43534"
                           yFract="0.99944787"
                           z3="6.20646"
                           zFract="0.27931863"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35105"
                           xFract="0.9894609"
                           y3="8.37563"
                           yFract="0.99237322"
                           z3="4.30624"
                           zFract="0.19380018"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.02923"
                           xFract="0.00346327"
                           y3="0.0102"
                           yFract="0.00120853"
                           z3="8.59908"
                           zFract="0.3869973"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11624"
                           xFract="0.25073934"
                           y3="2.1718"
                           yFract="0.25732227"
                           z3="4.31492"
                           zFract="0.19419082"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15168"
                           xFract="0.25493839"
                           y3="2.13594"
                           yFract="0.25307346"
                           z3="8.52938"
                           zFract="0.38386049"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20646"
                           xFract="0.49839573"
                           y3="2.09745"
                           yFract="0.24851303"
                           z3="6.44114"
                           zFract="0.28988029"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3495"
                           xFract="0.75231043"
                           y3="8.4345"
                           yFract="0.99934834"
                           z3="6.37238"
                           zFract="0.28678578"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29846"
                           xFract="0.50929621"
                           y3="8.43063"
                           yFract="0.99888981"
                           z3="4.22177"
                           zFract="0.18999865"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.18235"
                           xFract="0.4955391"
                           y3="0.0622"
                           yFract="0.00736967"
                           z3="8.48156"
                           zFract="0.38170837"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33722"
                           xFract="0.75085545"
                           y3="2.1222"
                           yFract="0.2514455"
                           z3="4.23607"
                           zFract="0.19064221"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28981"
                           xFract="0.74523815"
                           y3="2.08048"
                           yFract="0.24650237"
                           z3="8.61995"
                           zFract="0.38793654"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02582"
                           xFract="0.00305924"
                           y3="6.31086"
                           yFract="0.74773223"
                           z3="6.44971"
                           zFract="0.29026598"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0716"
                           xFract="0.24545024"
                           y3="4.23143"
                           yFract="0.50135427"
                           z3="6.32791"
                           zFract="0.28478443"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37098"
                           xFract="0.99182227"
                           y3="4.29994"
                           yFract="0.50947156"
                           z3="4.14341"
                           zFract="0.1864721"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29676"
                           xFract="0.98302844"
                           y3="4.15903"
                           yFract="0.49277607"
                           z3="8.95664"
                           zFract="0.40308911"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.11966"
                           xFract="0.25114455"
                           y3="6.2851"
                           yFract="0.74468009"
                           z3="4.21605"
                           zFract="0.18974122"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1657"
                           xFract="0.25659953"
                           y3="6.28844"
                           yFract="0.74507583"
                           z3="8.53411"
                           zFract="0.38407336"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20164"
                           xFract="0.49782464"
                           y3="6.35006"
                           yFract="0.75237678"
                           z3="6.24906"
                           zFract="0.28123582"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.39699"
                           xFract="0.7579372"
                           y3="4.22349"
                           yFract="0.50041351"
                           z3="6.44368"
                           zFract="0.2899946"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28557"
                           xFract="0.50776896"
                           y3="4.22426"
                           yFract="0.50050474"
                           z3="4.23245"
                           zFract="0.1904793"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26209"
                           xFract="0.50498697"
                           y3="4.11371"
                           yFract="0.4874064"
                           z3="8.56162"
                           zFract="0.38531143"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29585"
                           xFract="0.74595379"
                           y3="6.30929"
                           yFract="0.74754621"
                           z3="4.22348"
                           zFract="0.19007561"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25709"
                           xFract="0.74136137"
                           y3="6.33315"
                           yFract="0.75037322"
                           z3="8.63753"
                           zFract="0.38872772"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.0577"
                           xFract="0.00683649"
                           y3="4.25232"
                           yFract="0.50382938"
                           z3="9.92418"
                           zFract="0.44663276"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20817"
                           xFract="0.49859834"
                           y3="2.09072"
                           yFract="0.24771564"
                           z3="8.51232"
                           zFract="0.38309271"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18289"
                           xFract="0.49560308"
                           y3="8.42656"
                           yFract="0.99840758"
                           z3="6.37185"
                           zFract="0.28676193"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22806"
                           xFract="0.50095498"
                           y3="6.34586"
                           yFract="0.75187915"
                           z3="4.23569"
                           zFract="0.19062511"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32262"
                           xFract="0.74912559"
                           y3="4.2229"
                           yFract="0.5003436"
                           z3="4.20014"
                           zFract="0.1890252"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03053"
                           xFract="0.0036173"
                           y3="0.00189"
                           yFract="0.00022393"
                           z3="6.38965"
                           zFract="0.28756301"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11529"
                           xFract="0.25062678"
                           y3="2.10498"
                           yFract="0.24940521"
                           z3="6.41039"
                           zFract="0.2884964"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.02181"
                           xFract="0.00258412"
                           y3="2.01828"
                           yFract="0.2391327"
                           z3="8.50245"
                           zFract="0.38264851"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14043"
                           xFract="0.25360545"
                           y3="6.34023"
                           yFract="0.75121209"
                           z3="6.3766"
                           zFract="0.2869757"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32896"
                           xFract="0.74987678"
                           y3="8.43444"
                           yFract="0.99934123"
                           z3="4.23993"
                           zFract="0.19081593"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24171"
                           xFract="0.7395391"
                           y3="4.21073"
                           yFract="0.49890166"
                           z3="8.50502"
                           zFract="0.38276418"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10645"
                           xFract="0.24957938"
                           y3="0.01276"
                           yFract="0.00151185"
                           z3="4.21205"
                           zFract="0.18956121"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.19187"
                           xFract="0.49666706"
                           y3="6.34768"
                           yFract="0.75209479"
                           z3="8.69741"
                           zFract="0.39142259"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.14621"
                           xFract="0.25429028"
                           y3="0.00524"
                           yFract="0.00062085"
                           z3="8.64471"
                           zFract="0.38905086"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01808"
                           xFract="0.00214218"
                           y3="2.06565"
                           yFract="0.24474526"
                           z3="4.22386"
                           zFract="0.19009271"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23167"
                           xFract="0.26441588"
                           y3="4.22327"
                           yFract="0.50038744"
                           z3="8.6217"
                           zFract="0.3880153"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0442"
                           xFract="0.00523697"
                           y3="6.43697"
                           yFract="0.76267417"
                           z3="8.48559"
                           zFract="0.38188974"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18166"
                           xFract="0.49545735"
                           y3="4.2483"
                           yFract="0.50335308"
                           z3="6.38257"
                           zFract="0.28724437"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21481"
                           xFract="0.49938507"
                           y3="2.08484"
                           yFract="0.24701896"
                           z3="4.23377"
                           zFract="0.1905387"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26572"
                           xFract="0.74238389"
                           y3="8.42724"
                           yFract="0.99848815"
                           z3="8.5187"
                           zFract="0.38337984"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33525"
                           xFract="0.75062204"
                           y3="2.09934"
                           yFract="0.24873697"
                           z3="6.40315"
                           zFract="0.28817057"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.2884"
                           xFract="0.74507109"
                           y3="6.33858"
                           yFract="0.75101659"
                           z3="6.41709"
                           zFract="0.28879793"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.01919"
                           xFract="0.0022737"
                           y3="4.19914"
                           yFract="0.49752844"
                           z3="6.16996"
                           zFract="0.27767597"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13527"
                           xFract="0.25299408"
                           y3="4.22072"
                           yFract="0.50008531"
                           z3="4.2323"
                           zFract="0.19047255"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43367"
                           xFract="0.99925"
                           y3="6.36007"
                           yFract="0.7535628"
                           z3="4.24438"
                           zFract="0.1910162"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02734"
                           xFract="0.00323934"
                           y3="2.12324"
                           yFract="0.25156872"
                           z3="6.46647"
                           zFract="0.29102025"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09881"
                           xFract="0.24867417"
                           y3="8.43543"
                           yFract="0.99945853"
                           z3="6.20687"
                           zFract="0.27933708"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35202"
                           xFract="0.98957583"
                           y3="8.37645"
                           yFract="0.99247038"
                           z3="4.30558"
                           zFract="0.19377048"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03118"
                           xFract="0.00369431"
                           y3="0.00941"
                           yFract="0.00111493"
                           z3="8.5975"
                           zFract="0.38692619"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11608"
                           xFract="0.25072038"
                           y3="2.17167"
                           yFract="0.25730687"
                           z3="4.3150"
                           zFract="0.19419442"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14971"
                           xFract="0.25470498"
                           y3="2.13706"
                           yFract="0.25320616"
                           z3="8.5295"
                           zFract="0.38386589"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20671"
                           xFract="0.49842536"
                           y3="2.09631"
                           yFract="0.24837796"
                           z3="6.43969"
                           zFract="0.28981503"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34881"
                           xFract="0.75222867"
                           y3="8.43463"
                           yFract="0.99936374"
                           z3="6.37165"
                           zFract="0.28675293"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29709"
                           xFract="0.50913389"
                           y3="8.42905"
                           yFract="0.99870261"
                           z3="4.22179"
                           zFract="0.18999955"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17823"
                           xFract="0.49505095"
                           y3="0.06271"
                           yFract="0.00743009"
                           z3="8.48173"
                           zFract="0.38171602"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33791"
                           xFract="0.7509372"
                           y3="2.12174"
                           yFract="0.251391"
                           z3="4.23558"
                           zFract="0.19062016"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29087"
                           xFract="0.74536374"
                           y3="2.08239"
                           yFract="0.24672867"
                           z3="8.6185"
                           zFract="0.38787129"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02556"
                           xFract="0.00302844"
                           y3="6.31017"
                           yFract="0.74765047"
                           z3="6.44976"
                           zFract="0.29026823"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06932"
                           xFract="0.24518009"
                           y3="4.23101"
                           yFract="0.5013045"
                           z3="6.32847"
                           zFract="0.28480963"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37122"
                           xFract="0.99185071"
                           y3="4.29963"
                           yFract="0.50943483"
                           z3="4.14574"
                           zFract="0.18657696"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29587"
                           xFract="0.98292299"
                           y3="4.1568"
                           yFract="0.49251185"
                           z3="8.95562"
                           zFract="0.4030432"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.12251"
                           xFract="0.25148223"
                           y3="6.28547"
                           yFract="0.74472393"
                           z3="4.21566"
                           zFract="0.18972367"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16458"
                           xFract="0.25646682"
                           y3="6.28855"
                           yFract="0.74508886"
                           z3="8.53406"
                           zFract="0.38407111"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20186"
                           xFract="0.49785071"
                           y3="6.35029"
                           yFract="0.75240403"
                           z3="6.24798"
                           zFract="0.28118722"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.39905"
                           xFract="0.75818128"
                           y3="4.22283"
                           yFract="0.50033531"
                           z3="6.44576"
                           zFract="0.29008821"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28582"
                           xFract="0.50779858"
                           y3="4.22537"
                           yFract="0.50063626"
                           z3="4.2316"
                           zFract="0.19044104"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26282"
                           xFract="0.50507346"
                           y3="4.11407"
                           yFract="0.48744905"
                           z3="8.56002"
                           zFract="0.38523942"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29334"
                           xFract="0.7456564"
                           y3="6.30999"
                           yFract="0.74762915"
                           z3="4.22276"
                           zFract="0.1900432"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25787"
                           xFract="0.74145379"
                           y3="6.33195"
                           yFract="0.75023104"
                           z3="8.63614"
                           zFract="0.38866517"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.05671"
                           xFract="0.00671919"
                           y3="4.2523"
                           yFract="0.50382701"
                           z3="9.92536"
                           zFract="0.44668587"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20841"
                           xFract="0.49862678"
                           y3="2.09257"
                           yFract="0.24793483"
                           z3="8.51189"
                           zFract="0.38307336"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18262"
                           xFract="0.49557109"
                           y3="8.42642"
                           yFract="0.998391"
                           z3="6.37356"
                           zFract="0.28683888"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22791"
                           xFract="0.5009372"
                           y3="6.34568"
                           yFract="0.75185782"
                           z3="4.23563"
                           zFract="0.19062241"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32328"
                           xFract="0.74920379"
                           y3="4.22287"
                           yFract="0.50034005"
                           z3="4.19899"
                           zFract="0.18897345"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03111"
                           xFract="0.00368602"
                           y3="0.00135"
                           yFract="0.00015995"
                           z3="6.39207"
                           zFract="0.28767192"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11661"
                           xFract="0.25078318"
                           y3="2.10367"
                           yFract="0.24925"
                           z3="6.40973"
                           zFract="0.2884667"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.02343"
                           xFract="0.00277607"
                           y3="2.01765"
                           yFract="0.23905806"
                           z3="8.50207"
                           zFract="0.38263141"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14134"
                           xFract="0.25371327"
                           y3="6.34139"
                           yFract="0.75134953"
                           z3="6.37731"
                           zFract="0.28700765"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32954"
                           xFract="0.7499455"
                           y3="8.43451"
                           yFract="0.99934953"
                           z3="4.24019"
                           zFract="0.19082763"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.23782"
                           xFract="0.7390782"
                           y3="4.21249"
                           yFract="0.49911019"
                           z3="8.50582"
                           zFract="0.38280018"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10647"
                           xFract="0.24958175"
                           y3="0.01299"
                           yFract="0.0015391"
                           z3="4.21306"
                           zFract="0.18960666"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.19159"
                           xFract="0.49663389"
                           y3="6.34509"
                           yFract="0.75178791"
                           z3="8.69669"
                           zFract="0.39139019"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.14371"
                           xFract="0.25399408"
                           y3="0.0047"
                           yFract="0.00055687"
                           z3="8.64442"
                           zFract="0.3890378"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01847"
                           xFract="0.00218839"
                           y3="2.0665"
                           yFract="0.24484597"
                           z3="4.22302"
                           zFract="0.19005491"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23316"
                           xFract="0.26459242"
                           y3="4.22311"
                           yFract="0.50036848"
                           z3="8.62158"
                           zFract="0.3880099"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04466"
                           xFract="0.00529147"
                           y3="6.43913"
                           yFract="0.76293009"
                           z3="8.4883"
                           zFract="0.3820117"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18337"
                           xFract="0.49565995"
                           y3="4.24851"
                           yFract="0.50337796"
                           z3="6.38613"
                           zFract="0.28740459"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2150"
                           xFract="0.49940758"
                           y3="2.08511"
                           yFract="0.24705095"
                           z3="4.2345"
                           zFract="0.19057156"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.2694"
                           xFract="0.74281991"
                           y3="8.42631"
                           yFract="0.99837796"
                           z3="8.5185"
                           zFract="0.38337084"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33352"
                           xFract="0.75041706"
                           y3="2.09795"
                           yFract="0.24857227"
                           z3="6.40209"
                           zFract="0.28812286"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28713"
                           xFract="0.74492062"
                           y3="6.33928"
                           yFract="0.75109953"
                           z3="6.41732"
                           zFract="0.28880828"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.01984"
                           xFract="0.00235071"
                           y3="4.1995"
                           yFract="0.49757109"
                           z3="6.16926"
                           zFract="0.27764446"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13459"
                           xFract="0.25291351"
                           y3="4.22063"
                           yFract="0.50007464"
                           z3="4.23084"
                           zFract="0.19040684"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43341"
                           xFract="0.99921919"
                           y3="6.35913"
                           yFract="0.75345142"
                           z3="4.24379"
                           zFract="0.19098965"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0267"
                           xFract="0.00316351"
                           y3="2.12399"
                           yFract="0.25165758"
                           z3="6.47148"
                           zFract="0.29124572"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.0989"
                           xFract="0.24868483"
                           y3="8.43552"
                           yFract="0.99946919"
                           z3="6.20744"
                           zFract="0.27936274"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35322"
                           xFract="0.98971801"
                           y3="8.37721"
                           yFract="0.99256043"
                           z3="4.30506"
                           zFract="0.19374707"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03338"
                           xFract="0.00395498"
                           y3="0.00871"
                           yFract="0.00103199"
                           z3="8.59579"
                           zFract="0.38684923"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11589"
                           xFract="0.25069787"
                           y3="2.17154"
                           yFract="0.25729147"
                           z3="4.31507"
                           zFract="0.19419757"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14782"
                           xFract="0.25448104"
                           y3="2.13828"
                           yFract="0.25335071"
                           z3="8.52967"
                           zFract="0.38387354"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20687"
                           xFract="0.49844431"
                           y3="2.0951"
                           yFract="0.2482346"
                           z3="6.43791"
                           zFract="0.28973492"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34799"
                           xFract="0.75213152"
                           y3="8.43469"
                           yFract="0.99937085"
                           z3="6.37097"
                           zFract="0.28672232"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29559"
                           xFract="0.50895616"
                           y3="8.42734"
                           yFract="0.9985"
                           z3="4.22188"
                           zFract="0.1900036"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.17393"
                           xFract="0.49454147"
                           y3="0.06348"
                           yFract="0.00752133"
                           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="6.33868"
                           xFract="0.75102844"
                           y3="2.12118"
                           yFract="0.25132464"
                           z3="4.23496"
                           zFract="0.19059226"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29178"
                           xFract="0.74547156"
                           y3="2.08401"
                           yFract="0.24692062"
                           z3="8.61689"
                           zFract="0.38779883"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02521"
                           xFract="0.00298697"
                           y3="6.30978"
                           yFract="0.74760427"
                           z3="6.44988"
                           zFract="0.29027363"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06738"
                           xFract="0.24495024"
                           y3="4.23062"
                           yFract="0.50125829"
                           z3="6.32903"
                           zFract="0.28483483"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37153"
                           xFract="0.99188744"
                           y3="4.29929"
                           yFract="0.50939455"
                           z3="4.14781"
                           zFract="0.18667012"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29691"
                           xFract="0.98304621"
                           y3="4.15541"
                           yFract="0.49234716"
                           z3="8.96369"
                           zFract="0.40340639"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.12572"
                           xFract="0.25186256"
                           y3="6.28584"
                           yFract="0.74476777"
                           z3="4.21522"
                           zFract="0.18970387"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16344"
                           xFract="0.25633175"
                           y3="6.28864"
                           yFract="0.74509953"
                           z3="8.53405"
                           zFract="0.38407066"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20207"
                           xFract="0.49787559"
                           y3="6.35047"
                           yFract="0.75242536"
                           z3="6.24685"
                           zFract="0.28113636"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.40102"
                           xFract="0.75841469"
                           y3="4.2222"
                           yFract="0.50026066"
                           z3="6.44799"
                           zFract="0.29018857"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28614"
                           xFract="0.50783649"
                           y3="4.22664"
                           yFract="0.50078673"
                           z3="4.23084"
                           zFract="0.19040684"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2631"
                           xFract="0.50510664"
                           y3="4.11464"
                           yFract="0.48751659"
                           z3="8.55829"
                           zFract="0.38516157"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29059"
                           xFract="0.74533057"
                           y3="6.31075"
                           yFract="0.74771919"
                           z3="4.22186"
                           zFract="0.1900027"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.25867"
                           xFract="0.74154858"
                           y3="6.33091"
                           yFract="0.75010782"
                           z3="8.63462"
                           zFract="0.38859676"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.05373"
                           xFract="0.00636611"
                           y3="4.25225"
                           yFract="0.50382109"
                           z3="9.92892"
                           zFract="0.44684608"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20912"
                           xFract="0.4987109"
                           y3="2.09812"
                           yFract="0.24859242"
                           z3="8.51059"
                           zFract="0.38301485"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18182"
                           xFract="0.4954763"
                           y3="8.42601"
                           yFract="0.99834242"
                           z3="6.37871"
                           zFract="0.28707066"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22746"
                           xFract="0.50088389"
                           y3="6.34515"
                           yFract="0.75179502"
                           z3="4.23542"
                           zFract="0.19061296"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32528"
                           xFract="0.74944076"
                           y3="4.22281"
                           yFract="0.50033294"
                           z3="4.19556"
                           zFract="0.18881908"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03286"
                           xFract="0.00389336"
                           y3="-0.00026"
                           yFract="-0.00003081"
                           z3="6.39933"
                           zFract="0.28799865"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.12059"
                           xFract="0.25125474"
                           y3="2.09974"
                           yFract="0.24878436"
                           z3="6.40775"
                           zFract="0.28837759"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0283"
                           xFract="0.00335308"
                           y3="2.01576"
                           yFract="0.23883412"
                           z3="8.50094"
                           zFract="0.38258056"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14407"
                           xFract="0.25403673"
                           y3="6.34487"
                           yFract="0.75176185"
                           z3="6.37944"
                           zFract="0.28710351"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33128"
                           xFract="0.75015166"
                           y3="8.4347"
                           yFract="0.99937204"
                           z3="4.24097"
                           zFract="0.19086274"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.22614"
                           xFract="0.73769431"
                           y3="4.2178"
                           yFract="0.49973934"
                           z3="8.50822"
                           zFract="0.38290819"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10656"
                           xFract="0.24959242"
                           y3="0.01366"
                           yFract="0.00161848"
                           z3="4.21611"
                           zFract="0.18974392"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.19074"
                           xFract="0.49653318"
                           y3="6.33729"
                           yFract="0.75086374"
                           z3="8.69454"
                           zFract="0.39129343"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13624"
                           xFract="0.253109"
                           y3="0.00309"
                           yFract="0.00036611"
                           z3="8.64358"
                           zFract="0.3890"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01965"
                           xFract="0.0023282"
                           y3="2.06905"
                           yFract="0.2451481"
                           z3="4.22048"
                           zFract="0.18994059"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23763"
                           xFract="0.26512204"
                           y3="4.22262"
                           yFract="0.50031043"
                           z3="8.62124"
                           zFract="0.3879946"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04605"
                           xFract="0.00545616"
                           y3="6.44564"
                           yFract="0.76370142"
                           z3="8.49644"
                           zFract="0.38237804"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18849"
                           xFract="0.49626659"
                           y3="4.24912"
                           yFract="0.50345024"
                           z3="6.39681"
                           zFract="0.28788524"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21557"
                           xFract="0.49947512"
                           y3="2.08589"
                           yFract="0.24714336"
                           z3="4.23667"
                           zFract="0.19066922"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.28045"
                           xFract="0.74412915"
                           y3="8.42353"
                           yFract="0.99804858"
                           z3="8.5179"
                           zFract="0.38334383"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32834"
                           xFract="0.74980332"
                           y3="2.09377"
                           yFract="0.24807701"
                           z3="6.39891"
                           zFract="0.28797975"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28335"
                           xFract="0.74447275"
                           y3="6.34137"
                           yFract="0.75134716"
                           z3="6.41802"
                           zFract="0.28883978"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02177"
                           xFract="0.00257938"
                           y3="4.20058"
                           yFract="0.49769905"
                           z3="6.16716"
                           zFract="0.27754995"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13257"
                           xFract="0.25267417"
                           y3="4.22036"
                           yFract="0.50004265"
                           z3="4.22646"
                           zFract="0.19020972"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43261"
                           xFract="0.99912441"
                           y3="6.35633"
                           yFract="0.75311967"
                           z3="4.24201"
                           zFract="0.19090954"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0248"
                           xFract="0.00293839"
                           y3="2.12626"
                           yFract="0.25192654"
                           z3="6.48651"
                           zFract="0.29192214"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09914"
                           xFract="0.24871327"
                           y3="8.43582"
                           yFract="0.99950474"
                           z3="6.20913"
                           zFract="0.27943879"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3568"
                           xFract="0.99014218"
                           y3="8.37947"
                           yFract="0.9928282"
                           z3="4.30349"
                           zFract="0.19367642"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03999"
                           xFract="0.00473815"
                           y3="0.00661"
                           yFract="0.00078318"
                           z3="8.59069"
                           zFract="0.38661971"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11531"
                           xFract="0.25062915"
                           y3="2.17113"
                           yFract="0.25724289"
                           z3="4.31526"
                           zFract="0.19420612"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14213"
                           xFract="0.25380687"
                           y3="2.14195"
                           yFract="0.25378555"
                           z3="8.53016"
                           zFract="0.38389559"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20737"
                           xFract="0.49850355"
                           y3="2.09147"
                           yFract="0.2478045"
                           z3="6.43257"
                           zFract="0.2894946"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34555"
                           xFract="0.75184242"
                           y3="8.43486"
                           yFract="0.999391"
                           z3="6.36895"
                           zFract="0.28663141"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29107"
                           xFract="0.50842062"
                           y3="8.42222"
                           yFract="0.99789336"
                           z3="4.22217"
                           zFract="0.19001665"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16102"
                           xFract="0.49301185"
                           y3="0.06578"
                           yFract="0.00779384"
                           z3="8.48244"
                           zFract="0.38174797"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34096"
                           xFract="0.75129858"
                           y3="2.1195"
                           yFract="0.25112559"
                           z3="4.23312"
                           zFract="0.19050945"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2945"
                           xFract="0.74579384"
                           y3="2.08885"
                           yFract="0.24749408"
                           z3="8.61204"
                           zFract="0.38758056"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02419"
                           xFract="0.00286611"
                           y3="6.30861"
                           yFract="0.74746564"
                           z3="6.45026"
                           zFract="0.29029073"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06154"
                           xFract="0.24425829"
                           y3="4.22946"
                           yFract="0.50112085"
                           z3="6.33068"
                           zFract="0.28490909"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37244"
                           xFract="0.99199526"
                           y3="4.29825"
                           yFract="0.50927133"
                           z3="4.15401"
                           zFract="0.18694914"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.30001"
                           xFract="0.98341351"
                           y3="4.15123"
                           yFract="0.4918519"
                           z3="8.98787"
                           zFract="0.4044946"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13537"
                           xFract="0.25300592"
                           y3="6.28692"
                           yFract="0.74489573"
                           z3="4.21391"
                           zFract="0.18964491"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1600"
                           xFract="0.25592417"
                           y3="6.28892"
                           yFract="0.7451327"
                           z3="8.53402"
                           zFract="0.38406931"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20272"
                           xFract="0.49795261"
                           y3="6.35102"
                           yFract="0.75249052"
                           z3="6.24346"
                           zFract="0.2809838"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.40692"
                           xFract="0.75911374"
                           y3="4.22031"
                           yFract="0.50003673"
                           z3="6.45471"
                           zFract="0.290491"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2871"
                           xFract="0.50795024"
                           y3="4.23047"
                           yFract="0.50124052"
                           z3="4.22857"
                           zFract="0.19030468"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26393"
                           xFract="0.50520498"
                           y3="4.11637"
                           yFract="0.48772156"
                           z3="8.55308"
                           zFract="0.38492709"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28235"
                           xFract="0.74435427"
                           y3="6.31303"
                           yFract="0.74798934"
                           z3="4.21916"
                           zFract="0.18988119"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26107"
                           xFract="0.74183294"
                           y3="6.32778"
                           yFract="0.74973697"
                           z3="8.63006"
                           zFract="0.38839154"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.05465"
                           xFract="0.00647512"
                           y3="4.25227"
                           yFract="0.50382346"
                           z3="9.92782"
                           zFract="0.44679658"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2089"
                           xFract="0.49868483"
                           y3="2.0964"
                           yFract="0.24838863"
                           z3="8.51099"
                           zFract="0.38303285"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18206"
                           xFract="0.49550474"
                           y3="8.42613"
                           yFract="0.99835664"
                           z3="6.37712"
                           zFract="0.2869991"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2276"
                           xFract="0.50090047"
                           y3="6.34531"
                           yFract="0.75181398"
                           z3="4.23548"
                           zFract="0.19061566"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32466"
                           xFract="0.7493673"
                           y3="4.22283"
                           yFract="0.50033531"
                           z3="4.19662"
                           zFract="0.18886679"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03232"
                           xFract="0.00382938"
                           y3="0.00024"
                           yFract="0.00002844"
                           z3="6.39708"
                           zFract="0.28789739"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11936"
                           xFract="0.251109"
                           y3="2.10095"
                           yFract="0.24892773"
                           z3="6.40836"
                           zFract="0.28840504"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0268"
                           xFract="0.00317536"
                           y3="2.01634"
                           yFract="0.23890284"
                           z3="8.50129"
                           zFract="0.38259631"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14323"
                           xFract="0.2539372"
                           y3="6.34379"
                           yFract="0.75163389"
                           z3="6.37878"
                           zFract="0.28707381"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33074"
                           xFract="0.75008768"
                           y3="8.43464"
                           yFract="0.99936493"
                           z3="4.24073"
                           zFract="0.19085194"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.22974"
                           xFract="0.73812085"
                           y3="4.21616"
                           yFract="0.49954502"
                           z3="8.50748"
                           zFract="0.38287489"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10653"
                           xFract="0.24958886"
                           y3="0.01345"
                           yFract="0.0015936"
                           z3="4.21517"
                           zFract="0.18970162"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.1910"
                           xFract="0.49656398"
                           y3="6.3397"
                           yFract="0.75114929"
                           z3="8.69521"
                           zFract="0.39132358"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13854"
                           xFract="0.25338152"
                           y3="0.00359"
                           yFract="0.00042536"
                           z3="8.64384"
                           zFract="0.3890117"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01929"
                           xFract="0.00228555"
                           y3="2.06826"
                           yFract="0.2450545"
                           z3="4.22127"
                           zFract="0.18997615"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23625"
                           xFract="0.26495853"
                           y3="4.22277"
                           yFract="0.5003282"
                           z3="8.62134"
                           zFract="0.3879991"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04562"
                           xFract="0.00540521"
                           y3="6.44363"
                           yFract="0.76346327"
                           z3="8.49393"
                           zFract="0.38226508"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18691"
                           xFract="0.49607938"
                           y3="4.24893"
                           yFract="0.50342773"
                           z3="6.39351"
                           zFract="0.28773672"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21539"
                           xFract="0.49945379"
                           y3="2.08565"
                           yFract="0.24711493"
                           z3="4.2360"
                           zFract="0.19063906"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27704"
                           xFract="0.74372512"
                           y3="8.42439"
                           yFract="0.99815047"
                           z3="8.51809"
                           zFract="0.38335239"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.32994"
                           xFract="0.74999289"
                           y3="2.09506"
                           yFract="0.24822986"
                           z3="6.39989"
                           zFract="0.28802385"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28452"
                           xFract="0.74461137"
                           y3="6.34072"
                           yFract="0.75127014"
                           z3="6.41781"
                           zFract="0.28883033"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02118"
                           xFract="0.00250948"
                           y3="4.20025"
                           yFract="0.49765995"
                           z3="6.16781"
                           zFract="0.27757921"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.1332"
                           xFract="0.25274882"
                           y3="4.22044"
                           yFract="0.50005213"
                           z3="4.22782"
                           zFract="0.19027093"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43286"
                           xFract="0.99915403"
                           y3="6.3572"
                           yFract="0.75322275"
                           z3="4.24256"
                           zFract="0.19093429"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02539"
                           xFract="0.00300829"
                           y3="2.12556"
                           yFract="0.2518436"
                           z3="6.48188"
                           zFract="0.29171377"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09906"
                           xFract="0.24870379"
                           y3="8.43573"
                           yFract="0.99949408"
                           z3="6.2086"
                           zFract="0.27941494"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35569"
                           xFract="0.99001066"
                           y3="8.37877"
                           yFract="0.99274526"
                           z3="4.30398"
                           zFract="0.19369847"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03795"
                           xFract="0.00449645"
                           y3="0.00726"
                           yFract="0.00086019"
                           z3="8.59226"
                           zFract="0.38669037"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11549"
                           xFract="0.25065047"
                           y3="2.17125"
                           yFract="0.25725711"
                           z3="4.3152"
                           zFract="0.19420342"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14389"
                           xFract="0.2540154"
                           y3="2.14082"
                           yFract="0.25365166"
                           z3="8.53001"
                           zFract="0.38388884"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20721"
                           xFract="0.4984846"
                           y3="2.09259"
                           yFract="0.2479372"
                           z3="6.43422"
                           zFract="0.28956886"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3463"
                           xFract="0.75193128"
                           y3="8.43481"
                           yFract="0.99938507"
                           z3="6.36957"
                           zFract="0.28665932"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29246"
                           xFract="0.50858531"
                           y3="8.4238"
                           yFract="0.99808057"
                           z3="4.22208"
                           zFract="0.1900126"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1650"
                           xFract="0.49348341"
                           y3="0.06507"
                           yFract="0.00770972"
                           z3="8.48228"
                           zFract="0.38174077"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34026"
                           xFract="0.75121564"
                           y3="2.12002"
                           yFract="0.2511872"
                           z3="4.23369"
                           zFract="0.1905351"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29366"
                           xFract="0.74569431"
                           y3="2.08735"
                           yFract="0.24731635"
                           z3="8.61353"
                           zFract="0.38764761"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0245"
                           xFract="0.00290284"
                           y3="6.30897"
                           yFract="0.74750829"
                           z3="6.45014"
                           zFract="0.29028533"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06334"
                           xFract="0.24447156"
                           y3="4.22982"
                           yFract="0.50116351"
                           z3="6.33017"
                           zFract="0.28488614"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37216"
                           xFract="0.99196209"
                           y3="4.29857"
                           yFract="0.50930924"
                           z3="4.15209"
                           zFract="0.18686274"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29905"
                           xFract="0.98329976"
                           y3="4.15252"
                           yFract="0.49200474"
                           z3="8.98041"
                           zFract="0.40415887"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13239"
                           xFract="0.25265284"
                           y3="6.28659"
                           yFract="0.74485664"
                           z3="4.21431"
                           zFract="0.18966292"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16106"
                           xFract="0.25604976"
                           y3="6.28884"
                           yFract="0.74512322"
                           z3="8.53403"
                           zFract="0.38406976"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20252"
                           xFract="0.49792891"
                           y3="6.35085"
                           yFract="0.75247038"
                           z3="6.24451"
                           zFract="0.28103105"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4051"
                           xFract="0.7588981"
                           y3="4.2209"
                           yFract="0.50010664"
                           z3="6.45263"
                           zFract="0.29039739"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28681"
                           xFract="0.50791588"
                           y3="4.22929"
                           yFract="0.50110071"
                           z3="4.22927"
                           zFract="0.19033618"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26367"
                           xFract="0.50517417"
                           y3="4.11583"
                           yFract="0.48765758"
                           z3="8.55468"
                           zFract="0.3849991"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28489"
                           xFract="0.74465521"
                           y3="6.31233"
                           yFract="0.7479064"
                           z3="4.21999"
                           zFract="0.18991854"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26033"
                           xFract="0.74174526"
                           y3="6.32875"
                           yFract="0.7498519"
                           z3="8.63147"
                           zFract="0.388455"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.05428"
                           xFract="0.00643128"
                           y3="4.25233"
                           yFract="0.50383057"
                           z3="9.93123"
                           zFract="0.44695005"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20863"
                           xFract="0.49865284"
                           y3="2.09582"
                           yFract="0.24831991"
                           z3="8.51067"
                           zFract="0.38301845"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18184"
                           xFract="0.49547867"
                           y3="8.42585"
                           yFract="0.99832346"
                           z3="6.37827"
                           zFract="0.28705086"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22736"
                           xFract="0.50087204"
                           y3="6.34501"
                           yFract="0.75177844"
                           z3="4.23505"
                           zFract="0.19059631"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32436"
                           xFract="0.74933175"
                           y3="4.22291"
                           yFract="0.50034479"
                           z3="4.19646"
                           zFract="0.18885959"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03261"
                           xFract="0.00386374"
                           y3="0.00016"
                           yFract="0.00001896"
                           z3="6.3976"
                           zFract="0.28792079"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11912"
                           xFract="0.25108057"
                           y3="2.10073"
                           yFract="0.24890166"
                           z3="6.40822"
                           zFract="0.28839874"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.02752"
                           xFract="0.00326066"
                           y3="2.01769"
                           yFract="0.2390628"
                           z3="8.50195"
                           zFract="0.38262601"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14321"
                           xFract="0.25393483"
                           y3="6.34382"
                           yFract="0.75163744"
                           z3="6.3790"
                           zFract="0.28708371"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33086"
                           xFract="0.7501019"
                           y3="8.4346"
                           yFract="0.99936019"
                           z3="4.24067"
                           zFract="0.19084923"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.23111"
                           xFract="0.73828318"
                           y3="4.21666"
                           yFract="0.49960427"
                           z3="8.50824"
                           zFract="0.38290909"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10642"
                           xFract="0.24957583"
                           y3="0.01348"
                           yFract="0.00159716"
                           z3="4.21544"
                           zFract="0.18971377"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.19041"
                           xFract="0.49649408"
                           y3="6.33897"
                           yFract="0.7510628"
                           z3="8.69479"
                           zFract="0.39130468"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1377"
                           xFract="0.25328199"
                           y3="0.00363"
                           yFract="0.00043009"
                           z3="8.64379"
                           zFract="0.38900945"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.01952"
                           xFract="0.0023128"
                           y3="2.0685"
                           yFract="0.24508294"
                           z3="4.22145"
                           zFract="0.18998425"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23581"
                           xFract="0.2649064"
                           y3="4.22275"
                           yFract="0.50032583"
                           z3="8.62131"
                           zFract="0.38799775"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04602"
                           xFract="0.00545261"
                           y3="6.44261"
                           yFract="0.76334242"
                           z3="8.49514"
                           zFract="0.38231953"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18736"
                           xFract="0.4961327"
                           y3="4.24913"
                           yFract="0.50345142"
                           z3="6.39435"
                           zFract="0.28777453"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21552"
                           xFract="0.49946919"
                           y3="2.08594"
                           yFract="0.24714929"
                           z3="4.23613"
                           zFract="0.19064491"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27763"
                           xFract="0.74379502"
                           y3="8.42457"
                           yFract="0.9981718"
                           z3="8.51766"
                           zFract="0.38333303"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.09496"
                           yFract="0.24821801"
                           z3="6.39962"
                           zFract="0.2880117"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28448"
                           xFract="0.74460664"
                           y3="6.34048"
                           yFract="0.75124171"
                           z3="6.41766"
                           zFract="0.28882358"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02121"
                           xFract="0.00251303"
                           y3="4.2000"
                           yFract="0.49763033"
                           z3="6.16941"
                           zFract="0.27765122"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13334"
                           xFract="0.2527654"
                           y3="4.22047"
                           yFract="0.50005569"
                           z3="4.22776"
                           zFract="0.19026823"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43279"
                           xFract="0.99914573"
                           y3="6.35744"
                           yFract="0.75325118"
                           z3="4.24267"
                           zFract="0.19093924"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02515"
                           xFract="0.00297986"
                           y3="2.12527"
                           yFract="0.25180924"
                           z3="6.48364"
                           zFract="0.29179298"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.0991"
                           xFract="0.24870853"
                           y3="8.43574"
                           yFract="0.99949526"
                           z3="6.20907"
                           zFract="0.27943609"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35656"
                           xFract="0.99011374"
                           y3="8.3787"
                           yFract="0.99273697"
                           z3="4.30418"
                           zFract="0.19370747"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.03898"
                           xFract="0.00461848"
                           y3="0.00741"
                           yFract="0.00087796"
                           z3="8.59175"
                           zFract="0.38666742"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11528"
                           xFract="0.25062559"
                           y3="2.17136"
                           yFract="0.25727014"
                           z3="4.31519"
                           zFract="0.19420297"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14389"
                           xFract="0.2540154"
                           y3="2.14147"
                           yFract="0.25372867"
                           z3="8.5301"
                           zFract="0.38389289"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20707"
                           xFract="0.49846801"
                           y3="2.09222"
                           yFract="0.24789336"
                           z3="6.43314"
                           zFract="0.28952025"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34585"
                           xFract="0.75187796"
                           y3="8.43459"
                           yFract="0.999359"
                           z3="6.36954"
                           zFract="0.28665797"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.29181"
                           xFract="0.50850829"
                           y3="8.42328"
                           yFract="0.99801896"
                           z3="4.2223"
                           zFract="0.1900225"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.16373"
                           xFract="0.49333294"
                           y3="0.06581"
                           yFract="0.00779739"
                           z3="8.48234"
                           zFract="0.38174347"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34069"
                           xFract="0.75126659"
                           y3="2.11971"
                           yFract="0.25115047"
                           z3="4.23326"
                           zFract="0.19051575"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29338"
                           xFract="0.74566114"
                           y3="2.08688"
                           yFract="0.24726066"
                           z3="8.61272"
                           zFract="0.38761116"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02423"
                           xFract="0.00287085"
                           y3="6.30957"
                           yFract="0.74757938"
                           z3="6.45045"
                           zFract="0.29029928"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06378"
                           xFract="0.2445237"
                           y3="4.22981"
                           yFract="0.50116232"
                           z3="6.33026"
                           zFract="0.28489019"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37234"
                           xFract="0.99198341"
                           y3="4.29853"
                           yFract="0.5093045"
                           z3="4.15169"
                           zFract="0.18684473"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29889"
                           xFract="0.98328081"
                           y3="4.15185"
                           yFract="0.49192536"
                           z3="8.98346"
                           zFract="0.40429613"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.13387"
                           xFract="0.2528282"
                           y3="6.28647"
                           yFract="0.74484242"
                           z3="4.21412"
                           zFract="0.18965437"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.16074"
                           xFract="0.25601185"
                           y3="6.28869"
                           yFract="0.74510545"
                           z3="8.53411"
                           zFract="0.38407336"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20252"
                           xFract="0.49792891"
                           y3="6.35075"
                           yFract="0.75245853"
                           z3="6.24431"
                           zFract="0.28102205"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.40539"
                           xFract="0.75893246"
                           y3="4.22085"
                           yFract="0.50010071"
                           z3="6.45361"
                           zFract="0.29044149"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28709"
                           xFract="0.50794905"
                           y3="4.22979"
                           yFract="0.50115995"
                           z3="4.22939"
                           zFract="0.19034158"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26278"
                           xFract="0.50506872"
                           y3="4.11654"
                           yFract="0.48774171"
                           z3="8.55397"
                           zFract="0.38496715"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28384"
                           xFract="0.74453081"
                           y3="6.31263"
                           yFract="0.74794194"
                           z3="4.21942"
                           zFract="0.18989289"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26063"
                           xFract="0.74178081"
                           y3="6.32905"
                           yFract="0.74988744"
                           z3="8.63082"
                           zFract="0.38842574"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a57" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.05317"
                           xFract="0.00629976"
                           y3="4.2525"
                           yFract="0.50385071"
                           z3="9.94144"
                           zFract="0.44740954"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20782"
                           xFract="0.49855687"
                           y3="2.09408"
                           yFract="0.24811374"
                           z3="8.50971"
                           zFract="0.38297525"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.18116"
                           xFract="0.4953981"
                           y3="8.42499"
                           yFract="0.99822156"
                           z3="6.38171"
                           zFract="0.28720567"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22666"
                           xFract="0.5007891"
                           y3="6.34409"
                           yFract="0.75166943"
                           z3="4.23375"
                           zFract="0.1905378"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32345"
                           xFract="0.74922393"
                           y3="4.22314"
                           yFract="0.50037204"
                           z3="4.1960"
                           zFract="0.18883888"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03347"
                           xFract="0.00396564"
                           y3="-0.00006"
                           yFract="-0.00000711"
                           z3="6.39915"
                           zFract="0.28799055"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11838"
                           xFract="0.25099289"
                           y3="2.10008"
                           yFract="0.24882464"
                           z3="6.4078"
                           zFract="0.28837984"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.02967"
                           xFract="0.0035154"
                           y3="2.02172"
                           yFract="0.23954028"
                           z3="8.50393"
                           zFract="0.38271512"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14318"
                           xFract="0.25393128"
                           y3="6.34389"
                           yFract="0.75164573"
                           z3="6.37963"
                           zFract="0.28711206"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33122"
                           xFract="0.75014455"
                           y3="8.43451"
                           yFract="0.99934953"
                           z3="4.24049"
                           zFract="0.19084113"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.23522"
                           xFract="0.73877014"
                           y3="4.21817"
                           yFract="0.49978318"
                           z3="8.51054"
                           zFract="0.3830126"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10607"
                           xFract="0.24953436"
                           y3="0.01357"
                           yFract="0.00160782"
                           z3="4.21625"
                           zFract="0.18975023"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18864"
                           xFract="0.49628436"
                           y3="6.33677"
                           yFract="0.75080213"
                           z3="8.69354"
                           zFract="0.39124842"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13519"
                           xFract="0.2529846"
                           y3="0.00377"
                           yFract="0.00044668"
                           z3="8.64366"
                           zFract="0.3890036"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02022"
                           xFract="0.00239573"
                           y3="2.06923"
                           yFract="0.24516943"
                           z3="4.22201"
                           zFract="0.19000945"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23449"
                           xFract="0.26475"
                           y3="4.22268"
                           yFract="0.50031754"
                           z3="8.62123"
                           zFract="0.38799415"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04724"
                           xFract="0.00559716"
                           y3="6.43957"
                           yFract="0.76298223"
                           z3="8.49878"
                           zFract="0.38248335"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.18873"
                           xFract="0.49629502"
                           y3="4.24971"
                           yFract="0.50352014"
                           z3="6.39688"
                           zFract="0.28788839"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21589"
                           xFract="0.49951303"
                           y3="2.08681"
                           yFract="0.24725237"
                           z3="4.23651"
                           zFract="0.19066202"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27938"
                           xFract="0.74400237"
                           y3="8.42512"
                           yFract="0.99823697"
                           z3="8.51637"
                           zFract="0.38327498"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33016"
                           xFract="0.75001896"
                           y3="2.09467"
                           yFract="0.24818365"
                           z3="6.39881"
                           zFract="0.28797525"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28437"
                           xFract="0.7445936"
                           y3="6.33974"
                           yFract="0.75115403"
                           z3="6.41722"
                           zFract="0.28880378"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02129"
                           xFract="0.00252251"
                           y3="4.19928"
                           yFract="0.49754502"
                           z3="6.1742"
                           zFract="0.27786679"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13379"
                           xFract="0.25281872"
                           y3="4.22054"
                           yFract="0.50006398"
                           z3="4.22761"
                           zFract="0.19026148"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43258"
                           xFract="0.99912085"
                           y3="6.35817"
                           yFract="0.75333768"
                           z3="4.24302"
                           zFract="0.190955"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02444"
                           xFract="0.00289573"
                           y3="2.12438"
                           yFract="0.25170379"
                           z3="6.48892"
                           zFract="0.2920306"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09919"
                           xFract="0.24871919"
                           y3="8.43579"
                           yFract="0.99950118"
                           z3="6.21048"
                           zFract="0.27949955"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.35916"
                           xFract="0.9904218"
                           y3="8.3785"
                           yFract="0.99271327"
                           z3="4.30479"
                           zFract="0.19373492"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04208"
                           xFract="0.00498578"
                           y3="0.00787"
                           yFract="0.00093246"
                           z3="8.59021"
                           zFract="0.38659811"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11465"
                           xFract="0.25055095"
                           y3="2.17169"
                           yFract="0.25730924"
                           z3="4.31516"
                           zFract="0.19420162"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14391"
                           xFract="0.25401777"
                           y3="2.1434"
                           yFract="0.25395735"
                           z3="8.53038"
                           zFract="0.38390549"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20663"
                           xFract="0.49841588"
                           y3="2.09111"
                           yFract="0.24776185"
                           z3="6.42991"
                           zFract="0.28937489"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34447"
                           xFract="0.75171445"
                           y3="8.43391"
                           yFract="0.99927844"
                           z3="6.36945"
                           zFract="0.28665392"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28985"
                           xFract="0.50827607"
                           y3="8.42171"
                           yFract="0.99783294"
                           z3="4.22296"
                           zFract="0.19005221"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.15989"
                           xFract="0.49287796"
                           y3="0.06804"
                           yFract="0.00806161"
                           z3="8.48254"
                           zFract="0.38175248"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34198"
                           xFract="0.75141943"
                           y3="2.11878"
                           yFract="0.25104028"
                           z3="4.23198"
                           zFract="0.19045815"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29256"
                           xFract="0.74556398"
                           y3="2.08545"
                           yFract="0.24709123"
                           z3="8.61029"
                           zFract="0.3875018"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0234"
                           xFract="0.00277251"
                           y3="6.31137"
                           yFract="0.74779265"
                           z3="6.45138"
                           zFract="0.29034113"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06509"
                           xFract="0.24467891"
                           y3="4.22978"
                           yFract="0.50115877"
                           z3="6.33055"
                           zFract="0.28490324"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37289"
                           xFract="0.99204858"
                           y3="4.29841"
                           yFract="0.50929028"
                           z3="4.15047"
                           zFract="0.18678983"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29841"
                           xFract="0.98322393"
                           y3="4.14985"
                           yFract="0.49168839"
                           z3="8.99263"
                           zFract="0.40470882"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1383"
                           xFract="0.25335308"
                           y3="6.28614"
                           yFract="0.74480332"
                           z3="4.21355"
                           zFract="0.18962871"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15976"
                           xFract="0.25589573"
                           y3="6.28826"
                           yFract="0.7450545"
                           z3="8.53435"
                           zFract="0.38408416"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20253"
                           xFract="0.49793009"
                           y3="6.35043"
                           yFract="0.75242062"
                           z3="6.24372"
                           zFract="0.2809955"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.40627"
                           xFract="0.75903673"
                           y3="4.22072"
                           yFract="0.50008531"
                           z3="6.45656"
                           zFract="0.29057426"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28795"
                           xFract="0.50805095"
                           y3="4.23128"
                           yFract="0.50133649"
                           z3="4.22975"
                           zFract="0.19035779"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2601"
                           xFract="0.50475118"
                           y3="4.11865"
                           yFract="0.48799171"
                           z3="8.55181"
                           zFract="0.38486994"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28067"
                           xFract="0.74415521"
                           y3="6.31355"
                           yFract="0.74805095"
                           z3="4.21769"
                           zFract="0.18981503"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26151"
                           xFract="0.74188507"
                           y3="6.32997"
                           yFract="0.74999645"
                           z3="8.62886"
                           zFract="0.38833753"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.05095"
                           xFract="0.00603673"
                           y3="4.25285"
                           yFract="0.50389218"
                           z3="9.96188"
                           zFract="0.44832943"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2062"
                           xFract="0.49836493"
                           y3="2.09059"
                           yFract="0.24770024"
                           z3="8.5078"
                           zFract="0.38288929"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.1798"
                           xFract="0.49523697"
                           y3="8.42328"
                           yFract="0.99801896"
                           z3="6.38859"
                           zFract="0.2875153"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22525"
                           xFract="0.50062204"
                           y3="6.34226"
                           yFract="0.75145261"
                           z3="4.23114"
                           zFract="0.19042034"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32164"
                           xFract="0.74900948"
                           y3="4.22362"
                           yFract="0.50042891"
                           z3="4.19508"
                           zFract="0.18879748"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.0352"
                           xFract="0.00417062"
                           y3="-0.00051"
                           yFract="-0.00006043"
                           z3="6.40224"
                           zFract="0.28812961"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11692"
                           xFract="0.25081991"
                           y3="2.09876"
                           yFract="0.24866825"
                           z3="6.40694"
                           zFract="0.28834113"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03397"
                           xFract="0.00402488"
                           y3="2.0298"
                           yFract="0.24049763"
                           z3="8.50788"
                           zFract="0.38289289"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1431"
                           xFract="0.2539218"
                           y3="6.34403"
                           yFract="0.75166232"
                           z3="6.3809"
                           zFract="0.28716922"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33194"
                           xFract="0.75022986"
                           y3="8.43431"
                           yFract="0.99932583"
                           z3="4.24013"
                           zFract="0.19082493"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24344"
                           xFract="0.73974408"
                           y3="4.2212"
                           yFract="0.50014218"
                           z3="8.51515"
                           zFract="0.38322007"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10539"
                           xFract="0.24945379"
                           y3="0.01376"
                           yFract="0.00163033"
                           z3="4.21788"
                           zFract="0.18982358"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18509"
                           xFract="0.49586374"
                           y3="6.33238"
                           yFract="0.75028199"
                           z3="8.69104"
                           zFract="0.39113591"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13016"
                           xFract="0.25238863"
                           y3="0.00403"
                           yFract="0.00047749"
                           z3="8.6434"
                           zFract="0.3889919"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02163"
                           xFract="0.0025628"
                           y3="2.07069"
                           yFract="0.24534242"
                           z3="4.22311"
                           zFract="0.19005896"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23186"
                           xFract="0.26443839"
                           y3="4.22254"
                           yFract="0.50030095"
                           z3="8.62105"
                           zFract="0.38798605"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04968"
                           xFract="0.00588626"
                           y3="6.43347"
                           yFract="0.76225948"
                           z3="8.50606"
                           zFract="0.38281098"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19146"
                           xFract="0.49661848"
                           y3="4.25087"
                           yFract="0.50365758"
                           z3="6.40193"
                           zFract="0.28811566"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21663"
                           xFract="0.49960071"
                           y3="2.08855"
                           yFract="0.24745853"
                           z3="4.23727"
                           zFract="0.19069622"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.2829"
                           xFract="0.74441943"
                           y3="8.42621"
                           yFract="0.99836611"
                           z3="8.51379"
                           zFract="0.38315887"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3305"
                           xFract="0.75005924"
                           y3="2.09407"
                           yFract="0.24811256"
                           z3="6.39718"
                           zFract="0.28790189"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28414"
                           xFract="0.74456635"
                           y3="6.33826"
                           yFract="0.75097867"
                           z3="6.41634"
                           zFract="0.28876418"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02146"
                           xFract="0.00254265"
                           y3="4.19782"
                           yFract="0.49737204"
                           z3="6.18379"
                           zFract="0.27829838"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13467"
                           xFract="0.25292299"
                           y3="4.22069"
                           yFract="0.50008175"
                           z3="4.2273"
                           zFract="0.19024752"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43218"
                           xFract="0.99907346"
                           y3="6.35964"
                           yFract="0.75351185"
                           z3="4.2437"
                           zFract="0.1909856"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02302"
                           xFract="0.00272749"
                           y3="2.12262"
                           yFract="0.25149526"
                           z3="6.49949"
                           zFract="0.2925063"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09939"
                           xFract="0.24874289"
                           y3="8.43589"
                           yFract="0.99951303"
                           z3="6.21329"
                           zFract="0.27962601"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36436"
                           xFract="0.99103791"
                           y3="8.3781"
                           yFract="0.99266588"
                           z3="4.30601"
                           zFract="0.19378983"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.04826"
                           xFract="0.00571801"
                           y3="0.0088"
                           yFract="0.00104265"
                           z3="8.58713"
                           zFract="0.3864595"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1134"
                           xFract="0.25040284"
                           y3="2.17235"
                           yFract="0.25738744"
                           z3="4.3151"
                           zFract="0.19419892"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14395"
                           xFract="0.25402251"
                           y3="2.14727"
                           yFract="0.25441588"
                           z3="8.53094"
                           zFract="0.38393069"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20576"
                           xFract="0.4983128"
                           y3="2.08888"
                           yFract="0.24749763"
                           z3="6.42346"
                           zFract="0.28908461"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34173"
                           xFract="0.75138981"
                           y3="8.43257"
                           yFract="0.99911967"
                           z3="6.36927"
                           zFract="0.28664581"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28593"
                           xFract="0.50781161"
                           y3="8.41857"
                           yFract="0.9974609"
                           z3="4.22427"
                           zFract="0.19011116"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.15221"
                           xFract="0.49196801"
                           y3="0.07248"
                           yFract="0.00858768"
                           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="6.34456"
                           xFract="0.75172512"
                           y3="2.11692"
                           yFract="0.25081991"
                           z3="4.22942"
                           zFract="0.19034293"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29092"
                           xFract="0.74536967"
                           y3="2.0826"
                           yFract="0.24675355"
                           z3="8.60543"
                           zFract="0.38728308"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02175"
                           xFract="0.00257701"
                           y3="6.31497"
                           yFract="0.74821919"
                           z3="6.45324"
                           zFract="0.29042484"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06772"
                           xFract="0.24499052"
                           y3="4.22973"
                           yFract="0.50115284"
                           z3="6.33111"
                           zFract="0.28492844"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37397"
                           xFract="0.99217654"
                           y3="4.29818"
                           yFract="0.50926303"
                           z3="4.14804"
                           zFract="0.18668047"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29746"
                           xFract="0.98311137"
                           y3="4.14586"
                           yFract="0.49121564"
                           z3="9.01095"
                           zFract="0.4055333"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14715"
                           xFract="0.25440166"
                           y3="6.28546"
                           yFract="0.74472275"
                           z3="4.21242"
                           zFract="0.18957786"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15782"
                           xFract="0.25566588"
                           y3="6.28739"
                           yFract="0.74495142"
                           z3="8.53483"
                           zFract="0.38410576"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20255"
                           xFract="0.49793246"
                           y3="6.34979"
                           yFract="0.75234479"
                           z3="6.24253"
                           zFract="0.28094194"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.40802"
                           xFract="0.75924408"
                           y3="4.22045"
                           yFract="0.50005332"
                           z3="6.46245"
                           zFract="0.29083933"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.28967"
                           xFract="0.50825474"
                           y3="4.23428"
                           yFract="0.50169194"
                           z3="4.23047"
                           zFract="0.19039019"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25475"
                           xFract="0.5041173"
                           y3="4.12287"
                           yFract="0.48849171"
                           z3="8.5475"
                           zFract="0.38467597"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27434"
                           xFract="0.74340521"
                           y3="6.31539"
                           yFract="0.74826896"
                           z3="4.21424"
                           zFract="0.18965977"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26327"
                           xFract="0.7420936"
                           y3="6.33182"
                           yFract="0.75021564"
                           z3="8.62495"
                           zFract="0.38816157"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.0503"
                           xFract="0.00595972"
                           y3="4.25296"
                           yFract="0.50390521"
                           z3="9.96787"
                           zFract="0.44859901"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20573"
                           xFract="0.49830924"
                           y3="2.08957"
                           yFract="0.24757938"
                           z3="8.50724"
                           zFract="0.38286409"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.1794"
                           xFract="0.49518957"
                           y3="8.42277"
                           yFract="0.99795853"
                           z3="6.39061"
                           zFract="0.28760621"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22483"
                           xFract="0.50057227"
                           y3="6.34172"
                           yFract="0.75138863"
                           z3="4.23038"
                           zFract="0.19038614"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32111"
                           xFract="0.74894668"
                           y3="4.22376"
                           yFract="0.5004455"
                           z3="4.19481"
                           zFract="0.18878533"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.0357"
                           xFract="0.00422986"
                           y3="-0.00064"
                           yFract="-0.00007583"
                           z3="6.40314"
                           zFract="0.28817012"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11648"
                           xFract="0.25076777"
                           y3="2.09837"
                           yFract="0.24862204"
                           z3="6.40669"
                           zFract="0.28832988"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03523"
                           xFract="0.00417417"
                           y3="2.03216"
                           yFract="0.24077725"
                           z3="8.50905"
                           zFract="0.38294554"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14308"
                           xFract="0.25391943"
                           y3="6.34407"
                           yFract="0.75166706"
                           z3="6.38127"
                           zFract="0.28718587"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33215"
                           xFract="0.75025474"
                           y3="8.43425"
                           yFract="0.99931872"
                           z3="4.24002"
                           zFract="0.19081998"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24585"
                           xFract="0.74002962"
                           y3="4.22208"
                           yFract="0.50024645"
                           z3="8.5165"
                           zFract="0.38328083"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10519"
                           xFract="0.24943009"
                           y3="0.01381"
                           yFract="0.00163626"
                           z3="4.21836"
                           zFract="0.18984518"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18405"
                           xFract="0.49574052"
                           y3="6.33109"
                           yFract="0.75012915"
                           z3="8.69031"
                           zFract="0.39110306"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12868"
                           xFract="0.25221327"
                           y3="0.00411"
                           yFract="0.00048697"
                           z3="8.64332"
                           zFract="0.3889883"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02204"
                           xFract="0.00261137"
                           y3="2.07112"
                           yFract="0.24539336"
                           z3="4.22344"
                           zFract="0.19007381"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.23109"
                           xFract="0.26434716"
                           y3="4.2225"
                           yFract="0.50029621"
                           z3="8.62099"
                           zFract="0.38798335"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05039"
                           xFract="0.00597038"
                           y3="6.43168"
                           yFract="0.76204739"
                           z3="8.5082"
                           zFract="0.38290729"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19226"
                           xFract="0.49671327"
                           y3="4.25122"
                           yFract="0.50369905"
                           z3="6.40341"
                           zFract="0.28818227"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21685"
                           xFract="0.49962678"
                           y3="2.08906"
                           yFract="0.24751896"
                           z3="4.23749"
                           zFract="0.19070612"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.28394"
                           xFract="0.74454265"
                           y3="8.42653"
                           yFract="0.99840403"
                           z3="8.51303"
                           zFract="0.38312466"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33059"
                           xFract="0.75006991"
                           y3="2.0939"
                           yFract="0.24809242"
                           z3="6.3967"
                           zFract="0.28788029"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28408"
                           xFract="0.74455924"
                           y3="6.33783"
                           yFract="0.75092773"
                           z3="6.41608"
                           zFract="0.28875248"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02151"
                           xFract="0.00254858"
                           y3="4.19739"
                           yFract="0.49732109"
                           z3="6.1866"
                           zFract="0.27842484"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13494"
                           xFract="0.25295498"
                           y3="4.22073"
                           yFract="0.50008649"
                           z3="4.22721"
                           zFract="0.19024347"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43206"
                           xFract="0.99905924"
                           y3="6.36006"
                           yFract="0.75356161"
                           z3="4.24391"
                           zFract="0.19099505"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0226"
                           xFract="0.00267773"
                           y3="2.12211"
                           yFract="0.25143483"
                           z3="6.5026"
                           zFract="0.29264626"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09945"
                           xFract="0.24875"
                           y3="8.43592"
                           yFract="0.99951659"
                           z3="6.21411"
                           zFract="0.27966292"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36588"
                           xFract="0.99121801"
                           y3="8.37798"
                           yFract="0.99265166"
                           z3="4.30637"
                           zFract="0.19380603"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05008"
                           xFract="0.00593365"
                           y3="0.00907"
                           yFract="0.00107464"
                           z3="8.58623"
                           zFract="0.38641899"/>
                     <atom elementType="O"
                           id="a49"
                           x3="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="2.17255"
                           yFract="0.25741114"
                           z3="4.31508"
                           zFract="0.19419802"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14396"
                           xFract="0.2540237"
                           y3="2.1484"
                           yFract="0.25454976"
                           z3="8.53111"
                           zFract="0.38393834"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20551"
                           xFract="0.49828318"
                           y3="2.08823"
                           yFract="0.24742062"
                           z3="6.42157"
                           zFract="0.28899955"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34092"
                           xFract="0.75129384"
                           y3="8.43218"
                           yFract="0.99907346"
                           z3="6.36922"
                           zFract="0.28664356"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28478"
                           xFract="0.50767536"
                           y3="8.41765"
                           yFract="0.9973519"
                           z3="4.22466"
                           zFract="0.19012871"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14996"
                           xFract="0.49170142"
                           y3="0.07379"
                           yFract="0.00874289"
                           z3="8.48305"
                           zFract="0.38177543"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34532"
                           xFract="0.75181517"
                           y3="2.11637"
                           yFract="0.25075474"
                           z3="4.22866"
                           zFract="0.19030873"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.29044"
                           xFract="0.7453128"
                           y3="2.08176"
                           yFract="0.24665403"
                           z3="8.6040"
                           zFract="0.38721872"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02127"
                           xFract="0.00252014"
                           y3="6.31603"
                           yFract="0.74834479"
                           z3="6.45379"
                           zFract="0.29044959"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06849"
                           xFract="0.24508175"
                           y3="4.22971"
                           yFract="0.50115047"
                           z3="6.33128"
                           zFract="0.28493609"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37429"
                           xFract="0.99221445"
                           y3="4.29811"
                           yFract="0.50925474"
                           z3="4.14733"
                           zFract="0.18664851"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29718"
                           xFract="0.9830782"
                           y3="4.14468"
                           yFract="0.49107583"
                           z3="9.01633"
                           zFract="0.40577543"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14975"
                           xFract="0.25470972"
                           y3="6.28526"
                           yFract="0.74469905"
                           z3="4.21208"
                           zFract="0.18956256"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15725"
                           xFract="0.25559834"
                           y3="6.28714"
                           yFract="0.7449218"
                           z3="8.53497"
                           zFract="0.38411206"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20255"
                           xFract="0.49793246"
                           y3="6.34961"
                           yFract="0.75232346"
                           z3="6.24218"
                           zFract="0.28092619"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.40853"
                           xFract="0.7593045"
                           y3="4.22038"
                           yFract="0.50004502"
                           z3="6.46417"
                           zFract="0.29091674"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29017"
                           xFract="0.50831398"
                           y3="4.23516"
                           yFract="0.50179621"
                           z3="4.23068"
                           zFract="0.19039964"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25318"
                           xFract="0.50393128"
                           y3="4.12411"
                           yFract="0.48863863"
                           z3="8.54624"
                           zFract="0.38461926"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27248"
                           xFract="0.74318483"
                           y3="6.31593"
                           yFract="0.74833294"
                           z3="4.21323"
                           zFract="0.18961431"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26378"
                           xFract="0.74215403"
                           y3="6.33236"
                           yFract="0.75027962"
                           z3="8.62381"
                           zFract="0.38811026"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.04833"
                           xFract="0.0057263"
                           y3="4.25224"
                           yFract="0.50381991"
                           z3="9.97579"
                           zFract="0.44895545"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20423"
                           xFract="0.49813152"
                           y3="2.08955"
                           yFract="0.24757701"
                           z3="8.50586"
                           zFract="0.38280198"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.1790"
                           xFract="0.49514218"
                           y3="8.42164"
                           yFract="0.99782464"
                           z3="6.39134"
                           zFract="0.28763906"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22438"
                           xFract="0.50051896"
                           y3="6.34201"
                           yFract="0.75142299"
                           z3="4.23013"
                           zFract="0.19037489"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32171"
                           xFract="0.74901777"
                           y3="4.22411"
                           yFract="0.50048697"
                           z3="4.19472"
                           zFract="0.18878128"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03555"
                           xFract="0.00421209"
                           y3="-0.00035"
                           yFract="-0.00004147"
                           z3="6.4045"
                           zFract="0.28823132"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11545"
                           xFract="0.25064573"
                           y3="2.09877"
                           yFract="0.24866943"
                           z3="6.4065"
                           zFract="0.28832133"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03663"
                           xFract="0.00434005"
                           y3="2.03415"
                           yFract="0.24101303"
                           z3="8.51344"
                           zFract="0.38314311"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14256"
                           xFract="0.25385782"
                           y3="6.34331"
                           yFract="0.75157701"
                           z3="6.3809"
                           zFract="0.28716922"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33151"
                           xFract="0.75017891"
                           y3="8.43409"
                           yFract="0.99929976"
                           z3="4.23997"
                           zFract="0.19081773"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24653"
                           xFract="0.74011019"
                           y3="4.22175"
                           yFract="0.50020735"
                           z3="8.51878"
                           zFract="0.38338344"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10573"
                           xFract="0.24949408"
                           y3="0.01379"
                           yFract="0.00163389"
                           z3="4.21861"
                           zFract="0.18985644"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18294"
                           xFract="0.495609"
                           y3="6.33041"
                           yFract="0.75004858"
                           z3="8.68928"
                           zFract="0.39105671"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12763"
                           xFract="0.25208886"
                           y3="0.00505"
                           yFract="0.00059834"
                           z3="8.64353"
                           zFract="0.38899775"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02251"
                           xFract="0.00266706"
                           y3="2.07194"
                           yFract="0.24549052"
                           z3="4.22452"
                           zFract="0.19012241"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.2279"
                           xFract="0.26396919"
                           y3="4.22257"
                           yFract="0.5003045"
                           z3="8.62147"
                           zFract="0.38800495"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05147"
                           xFract="0.00609834"
                           y3="6.42933"
                           yFract="0.76176896"
                           z3="8.50989"
                           zFract="0.38298335"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19253"
                           xFract="0.49674526"
                           y3="4.25124"
                           yFract="0.50370142"
                           z3="6.40379"
                           zFract="0.28819937"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2169"
                           xFract="0.4996327"
                           y3="2.08899"
                           yFract="0.24751066"
                           z3="4.23751"
                           zFract="0.19070702"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.28352"
                           xFract="0.74449289"
                           y3="8.42737"
                           yFract="0.99850355"
                           z3="8.5112"
                           zFract="0.3830423"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33157"
                           xFract="0.75018602"
                           y3="2.09402"
                           yFract="0.24810664"
                           z3="6.3964"
                           zFract="0.28786679"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28473"
                           xFract="0.74463626"
                           y3="6.33712"
                           yFract="0.7508436"
                           z3="6.41497"
                           zFract="0.28870252"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02229"
                           xFract="0.002641"
                           y3="4.19684"
                           yFract="0.49725592"
                           z3="6.1883"
                           zFract="0.27850135"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.1352"
                           xFract="0.25298578"
                           y3="4.22087"
                           yFract="0.50010308"
                           z3="4.22836"
                           zFract="0.19029523"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43234"
                           xFract="0.99909242"
                           y3="6.35941"
                           yFract="0.7534846"
                           z3="4.24464"
                           zFract="0.1910279"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02264"
                           xFract="0.00268246"
                           y3="2.12235"
                           yFract="0.25146327"
                           z3="6.50434"
                           zFract="0.29272457"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09943"
                           xFract="0.24874763"
                           y3="8.4356"
                           yFract="0.99947867"
                           z3="6.21537"
                           zFract="0.27971962"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36725"
                           xFract="0.99138033"
                           y3="8.37704"
                           yFract="0.99254028"
                           z3="4.30781"
                           zFract="0.19387084"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05192"
                           xFract="0.00615166"
                           y3="0.00968"
                           yFract="0.00114692"
                           z3="8.58603"
                           zFract="0.38640999"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11202"
                           xFract="0.25023934"
                           y3="2.17366"
                           yFract="0.25754265"
                           z3="4.3153"
                           zFract="0.19420792"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14554"
                           xFract="0.2542109"
                           y3="2.15049"
                           yFract="0.25479739"
                           z3="8.5314"
                           zFract="0.3839514"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20505"
                           xFract="0.49822867"
                           y3="2.08817"
                           yFract="0.24741351"
                           z3="6.41949"
                           zFract="0.28890594"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34012"
                           xFract="0.75119905"
                           y3="8.43136"
                           yFract="0.9989763"
                           z3="6.36906"
                           zFract="0.28663636"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28368"
                           xFract="0.50754502"
                           y3="8.41775"
                           yFract="0.99736374"
                           z3="4.22521"
                           zFract="0.19015347"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14868"
                           xFract="0.49154976"
                           y3="0.07442"
                           yFract="0.00881754"
                           z3="8.48396"
                           zFract="0.38181638"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34667"
                           xFract="0.75197512"
                           y3="2.11581"
                           yFract="0.25068839"
                           z3="4.22831"
                           zFract="0.19029298"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28857"
                           xFract="0.74509123"
                           y3="2.07968"
                           yFract="0.24640758"
                           z3="8.6027"
                           zFract="0.38716022"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02107"
                           xFract="0.00249645"
                           y3="6.31669"
                           yFract="0.74842299"
                           z3="6.45517"
                           zFract="0.2905117"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06898"
                           xFract="0.24513981"
                           y3="4.23002"
                           yFract="0.5011872"
                           z3="6.33119"
                           zFract="0.28493204"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3741"
                           xFract="0.99219194"
                           y3="4.29948"
                           yFract="0.50941706"
                           z3="4.14975"
                           zFract="0.18675743"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29671"
                           xFract="0.98302251"
                           y3="4.14411"
                           yFract="0.49100829"
                           z3="9.03064"
                           zFract="0.40641944"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15118"
                           xFract="0.25487915"
                           y3="6.28394"
                           yFract="0.74454265"
                           z3="4.21206"
                           zFract="0.18956166"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15574"
                           xFract="0.25541943"
                           y3="6.28575"
                           yFract="0.74475711"
                           z3="8.53549"
                           zFract="0.38413546"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20246"
                           xFract="0.4979218"
                           y3="6.34921"
                           yFract="0.75227607"
                           z3="6.24241"
                           zFract="0.28093654"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.40971"
                           xFract="0.75944431"
                           y3="4.22046"
                           yFract="0.5000545"
                           z3="6.46689"
                           zFract="0.29103915"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2908"
                           xFract="0.50838863"
                           y3="4.23516"
                           yFract="0.50179621"
                           z3="4.23185"
                           zFract="0.1904523"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2561"
                           xFract="0.50427725"
                           y3="4.1250"
                           yFract="0.48874408"
                           z3="8.54507"
                           zFract="0.38456661"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27175"
                           xFract="0.74309834"
                           y3="6.31623"
                           yFract="0.74836848"
                           z3="4.21239"
                           zFract="0.18957651"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26495"
                           xFract="0.74229265"
                           y3="6.33435"
                           yFract="0.7505154"
                           z3="8.62342"
                           zFract="0.38809271"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.04593"
                           xFract="0.00544194"
                           y3="4.25138"
                           yFract="0.50371801"
                           z3="9.98538"
                           zFract="0.44938704"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20241"
                           xFract="0.49791588"
                           y3="2.08953"
                           yFract="0.24757464"
                           z3="8.50418"
                           zFract="0.38272637"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17852"
                           xFract="0.49508531"
                           y3="8.42028"
                           yFract="0.99766351"
                           z3="6.39222"
                           zFract="0.28767867"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22383"
                           xFract="0.50045379"
                           y3="6.34236"
                           yFract="0.75146445"
                           z3="4.22983"
                           zFract="0.19036139"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32244"
                           xFract="0.74910427"
                           y3="4.22454"
                           yFract="0.50053791"
                           z3="4.1946"
                           zFract="0.18877588"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03536"
                           xFract="0.00418957"
                           y3="-0.00001"
                           yFract="-0.00000118"
                           z3="6.40613"
                           zFract="0.28830468"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1142"
                           xFract="0.25049763"
                           y3="2.09925"
                           yFract="0.2487263"
                           z3="6.40627"
                           zFract="0.28831098"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03832"
                           xFract="0.00454028"
                           y3="2.03656"
                           yFract="0.24129858"
                           z3="8.51878"
                           zFract="0.38338344"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14193"
                           xFract="0.25378318"
                           y3="6.3424"
                           yFract="0.75146919"
                           z3="6.38045"
                           zFract="0.28714896"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33074"
                           xFract="0.75008768"
                           y3="8.43389"
                           yFract="0.99927607"
                           z3="4.23991"
                           zFract="0.19081503"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24735"
                           xFract="0.74020735"
                           y3="4.22135"
                           yFract="0.50015995"
                           z3="8.52155"
                           zFract="0.3835081"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10638"
                           xFract="0.24957109"
                           y3="0.01376"
                           yFract="0.00163033"
                           z3="4.21891"
                           zFract="0.18986994"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18159"
                           xFract="0.49544905"
                           y3="6.32959"
                           yFract="0.74995142"
                           z3="8.68804"
                           zFract="0.3910009"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12636"
                           xFract="0.25193839"
                           y3="0.00619"
                           yFract="0.00073341"
                           z3="8.64379"
                           zFract="0.38900945"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02308"
                           xFract="0.0027346"
                           y3="2.07294"
                           yFract="0.245609"
                           z3="4.22584"
                           zFract="0.19018182"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.22404"
                           xFract="0.26351185"
                           y3="4.22265"
                           yFract="0.50031398"
                           z3="8.62205"
                           zFract="0.38803105"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05278"
                           xFract="0.00625355"
                           y3="6.42647"
                           yFract="0.76143009"
                           z3="8.51194"
                           zFract="0.38307561"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19286"
                           xFract="0.49678436"
                           y3="4.25127"
                           yFract="0.50370498"
                           z3="6.40425"
                           zFract="0.28822007"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21696"
                           xFract="0.49963981"
                           y3="2.0889"
                           yFract="0.2475"
                           z3="4.23752"
                           zFract="0.19070747"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.28301"
                           xFract="0.74443246"
                           y3="8.4284"
                           yFract="0.99862559"
                           z3="8.50899"
                           zFract="0.38294284"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33275"
                           xFract="0.75032583"
                           y3="2.09416"
                           yFract="0.24812322"
                           z3="6.39604"
                           zFract="0.28785059"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28553"
                           xFract="0.74473104"
                           y3="6.33625"
                           yFract="0.75074052"
                           z3="6.41361"
                           zFract="0.28864131"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02323"
                           xFract="0.00275237"
                           y3="4.19618"
                           yFract="0.49717773"
                           z3="6.19037"
                           zFract="0.27859451"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13553"
                           xFract="0.25302488"
                           y3="4.22104"
                           yFract="0.50012322"
                           z3="4.22975"
                           zFract="0.19035779"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43268"
                           xFract="0.9991327"
                           y3="6.35861"
                           yFract="0.75338981"
                           z3="4.24553"
                           zFract="0.19106796"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02268"
                           xFract="0.0026872"
                           y3="2.12265"
                           yFract="0.25149882"
                           z3="6.50646"
                           zFract="0.29281998"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09941"
                           xFract="0.24874526"
                           y3="8.43521"
                           yFract="0.99943246"
                           z3="6.2169"
                           zFract="0.27978848"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36891"
                           xFract="0.99157701"
                           y3="8.37591"
                           yFract="0.9924064"
                           z3="4.30955"
                           zFract="0.19394914"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05415"
                           xFract="0.00641588"
                           y3="0.01042"
                           yFract="0.0012346"
                           z3="8.5858"
                           zFract="0.38639964"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11078"
                           xFract="0.25009242"
                           y3="2.17502"
                           yFract="0.25770379"
                           z3="4.31557"
                           zFract="0.19422007"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14745"
                           xFract="0.2544372"
                           y3="2.15301"
                           yFract="0.25509597"
                           z3="8.53175"
                           zFract="0.38396715"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20449"
                           xFract="0.49816232"
                           y3="2.0881"
                           yFract="0.24740521"
                           z3="6.41697"
                           zFract="0.28879253"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33915"
                           xFract="0.75108412"
                           y3="8.43036"
                           yFract="0.99885782"
                           z3="6.36886"
                           zFract="0.28662736"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28233"
                           xFract="0.50738507"
                           y3="8.41788"
                           yFract="0.99737915"
                           z3="4.22588"
                           zFract="0.19018362"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14712"
                           xFract="0.49136493"
                           y3="0.07518"
                           yFract="0.00890758"
                           z3="8.48505"
                           zFract="0.38186544"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.34831"
                           xFract="0.75216943"
                           y3="2.11512"
                           yFract="0.25060664"
                           z3="4.22788"
                           zFract="0.19027363"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28631"
                           xFract="0.74482346"
                           y3="2.07715"
                           yFract="0.24610782"
                           z3="8.60113"
                           zFract="0.38708956"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02084"
                           xFract="0.00246919"
                           y3="6.3175"
                           yFract="0.74851896"
                           z3="6.45686"
                           zFract="0.29058776"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06957"
                           xFract="0.24520972"
                           y3="4.2304"
                           yFract="0.50123223"
                           z3="6.33108"
                           zFract="0.28492709"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37387"
                           xFract="0.99216469"
                           y3="4.30113"
                           yFract="0.50961256"
                           z3="4.15268"
                           zFract="0.18688929"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29614"
                           xFract="0.98295498"
                           y3="4.14341"
                           yFract="0.49092536"
                           z3="9.0480"
                           zFract="0.40720072"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15292"
                           xFract="0.25508531"
                           y3="6.28233"
                           yFract="0.7443519"
                           z3="4.21204"
                           zFract="0.18956076"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1539"
                           xFract="0.25520142"
                           y3="6.28406"
                           yFract="0.74455687"
                           z3="8.53612"
                           zFract="0.38416382"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20235"
                           xFract="0.49790877"
                           y3="6.34873"
                           yFract="0.75221919"
                           z3="6.2427"
                           zFract="0.28094959"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.41114"
                           xFract="0.75961374"
                           y3="4.22056"
                           yFract="0.50006635"
                           z3="6.47018"
                           zFract="0.29118722"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29156"
                           xFract="0.50847867"
                           y3="4.23518"
                           yFract="0.50179858"
                           z3="4.23328"
                           zFract="0.19051665"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.25965"
                           xFract="0.50469787"
                           y3="4.12608"
                           yFract="0.48887204"
                           z3="8.54365"
                           zFract="0.3845027"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27085"
                           xFract="0.74299171"
                           y3="6.31661"
                           yFract="0.74841351"
                           z3="4.21137"
                           zFract="0.1895306"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26638"
                           xFract="0.74246209"
                           y3="6.33676"
                           yFract="0.75080095"
                           z3="8.62295"
                           zFract="0.38807156"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.04553"
                           xFract="0.00539455"
                           y3="4.25129"
                           yFract="0.50370735"
                           z3="9.9898"
                           zFract="0.44958596"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20193"
                           xFract="0.497859"
                           y3="2.08967"
                           yFract="0.24759123"
                           z3="8.5037"
                           zFract="0.38270477"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.1784"
                           xFract="0.49507109"
                           y3="8.41991"
                           yFract="0.99761967"
                           z3="6.39232"
                           zFract="0.28768317"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22371"
                           xFract="0.50043957"
                           y3="6.3425"
                           yFract="0.75148104"
                           z3="4.22983"
                           zFract="0.19036139"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32271"
                           xFract="0.74913626"
                           y3="4.22466"
                           yFract="0.50055213"
                           z3="4.19461"
                           zFract="0.18877633"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03525"
                           xFract="0.00417654"
                           y3="0.00009"
                           yFract="0.00001066"
                           z3="6.4066"
                           zFract="0.28832583"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11388"
                           xFract="0.25045972"
                           y3="2.09942"
                           yFract="0.24874645"
                           z3="6.40623"
                           zFract="0.28830918"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03873"
                           xFract="0.00458886"
                           y3="2.03706"
                           yFract="0.24135782"
                           z3="8.52038"
                           zFract="0.38345545"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14173"
                           xFract="0.25375948"
                           y3="6.34213"
                           yFract="0.7514372"
                           z3="6.38028"
                           zFract="0.28714131"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33053"
                           xFract="0.7500628"
                           y3="8.43383"
                           yFract="0.99926896"
                           z3="4.23991"
                           zFract="0.19081503"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24743"
                           xFract="0.74021682"
                           y3="4.22117"
                           yFract="0.50013863"
                           z3="8.52236"
                           zFract="0.38354455"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10659"
                           xFract="0.24959597"
                           y3="0.01375"
                           yFract="0.00162915"
                           z3="4.2190"
                           zFract="0.18987399"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18131"
                           xFract="0.49541588"
                           y3="6.32945"
                           yFract="0.74993483"
                           z3="8.68771"
                           zFract="0.39098605"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12612"
                           xFract="0.25190995"
                           y3="0.00653"
                           yFract="0.0007737"
                           z3="8.64387"
                           zFract="0.38901305"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02321"
                           xFract="0.00275"
                           y3="2.07319"
                           yFract="0.24563863"
                           z3="4.22622"
                           zFract="0.19019892"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.22294"
                           xFract="0.26338152"
                           y3="4.22269"
                           yFract="0.50031872"
                           z3="8.62225"
                           zFract="0.38804005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05309"
                           xFract="0.00629028"
                           y3="6.42579"
                           yFract="0.76134953"
                           z3="8.51243"
                           zFract="0.38309766"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19293"
                           xFract="0.49679265"
                           y3="4.25122"
                           yFract="0.50369905"
                           z3="6.40428"
                           zFract="0.28822142"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21695"
                           xFract="0.49963863"
                           y3="2.08884"
                           yFract="0.24749289"
                           z3="4.23751"
                           zFract="0.19070702"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.28276"
                           xFract="0.74440284"
                           y3="8.42865"
                           yFract="0.99865521"
                           z3="8.50836"
                           zFract="0.38291449"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3331"
                           xFract="0.7503673"
                           y3="2.09423"
                           yFract="0.24813152"
                           z3="6.39598"
                           zFract="0.28784788"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28579"
                           xFract="0.74476185"
                           y3="6.33599"
                           yFract="0.75070972"
                           z3="6.41323"
                           zFract="0.28862421"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.0235"
                           xFract="0.00278436"
                           y3="4.19603"
                           yFract="0.49715995"
                           z3="6.19078"
                           zFract="0.27861296"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13562"
                           xFract="0.25303555"
                           y3="4.22108"
                           yFract="0.50012796"
                           z3="4.23016"
                           zFract="0.19037624"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43281"
                           xFract="0.9991481"
                           y3="6.35835"
                           yFract="0.753359"
                           z3="4.2458"
                           zFract="0.19108011"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02276"
                           xFract="0.00269668"
                           y3="2.12283"
                           yFract="0.25152014"
                           z3="6.50693"
                           zFract="0.29284113"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.0994"
                           xFract="0.24874408"
                           y3="8.43509"
                           yFract="0.99941825"
                           z3="6.2173"
                           zFract="0.27980648"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.36927"
                           xFract="0.99161967"
                           y3="8.37553"
                           yFract="0.99236137"
                           z3="4.31007"
                           zFract="0.19397255"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05471"
                           xFract="0.00648223"
                           y3="0.01065"
                           yFract="0.00126185"
                           z3="8.58583"
                           zFract="0.38640099"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11038"
                           xFract="0.25004502"
                           y3="2.17546"
                           yFract="0.25775592"
                           z3="4.31566"
                           zFract="0.19422412"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14805"
                           xFract="0.25450829"
                           y3="2.15379"
                           yFract="0.25518839"
                           z3="8.53183"
                           zFract="0.38397075"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20434"
                           xFract="0.49814455"
                           y3="2.08813"
                           yFract="0.24740877"
                           z3="6.41635"
                           zFract="0.28876463"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33892"
                           xFract="0.75105687"
                           y3="8.43011"
                           yFract="0.9988282"
                           z3="6.36875"
                           zFract="0.28662241"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28199"
                           xFract="0.50734479"
                           y3="8.41803"
                           yFract="0.99739692"
                           z3="4.22603"
                           zFract="0.19019037"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14677"
                           xFract="0.49132346"
                           y3="0.07527"
                           yFract="0.00891825"
                           z3="8.48538"
                           zFract="0.38188029"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3488"
                           xFract="0.75222749"
                           y3="2.11497"
                           yFract="0.25058886"
                           z3="4.22783"
                           zFract="0.19027138"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28564"
                           xFract="0.74474408"
                           y3="2.07645"
                           yFract="0.24602488"
                           z3="8.60077"
                           zFract="0.38707336"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02083"
                           xFract="0.00246801"
                           y3="6.31762"
                           yFract="0.74853318"
                           z3="6.45735"
                           zFract="0.29060981"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06966"
                           xFract="0.24522038"
                           y3="4.23052"
                           yFract="0.50124645"
                           z3="6.33109"
                           zFract="0.28492754"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37376"
                           xFract="0.99215166"
                           y3="4.30169"
                           yFract="0.50967891"
                           z3="4.15365"
                           zFract="0.18693294"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29555"
                           xFract="0.98288507"
                           y3="4.14302"
                           yFract="0.49087915"
                           z3="9.05142"
                           zFract="0.40735464"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15318"
                           xFract="0.25511611"
                           y3="6.28181"
                           yFract="0.74429028"
                           z3="4.21207"
                           zFract="0.18956211"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15337"
                           xFract="0.25513863"
                           y3="6.28348"
                           yFract="0.74448815"
                           z3="8.53631"
                           zFract="0.38417237"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2023"
                           xFract="0.49790284"
                           y3="6.3486"
                           yFract="0.75220379"
                           z3="6.24282"
                           zFract="0.280955"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.41163"
                           xFract="0.7596718"
                           y3="4.22059"
                           yFract="0.50006991"
                           z3="6.47108"
                           zFract="0.29122772"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29177"
                           xFract="0.50850355"
                           y3="4.23507"
                           yFract="0.50178555"
                           z3="4.23369"
                           zFract="0.1905351"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26081"
                           xFract="0.50483531"
                           y3="4.1263"
                           yFract="0.4888981"
                           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="6.27075"
                           xFract="0.74297986"
                           y3="6.31667"
                           yFract="0.74842062"
                           z3="4.21115"
                           zFract="0.1895207"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26679"
                           xFract="0.74251066"
                           y3="6.33748"
                           yFract="0.75088626"
                           z3="8.62292"
                           zFract="0.38807021"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.04432"
                           xFract="0.00525118"
                           y3="4.25102"
                           yFract="0.50367536"
                           z3="10.00304"
                           zFract="0.45018182"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20051"
                           xFract="0.49769076"
                           y3="2.09011"
                           yFract="0.24764336"
                           z3="8.50226"
                           zFract="0.38263996"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17804"
                           xFract="0.49502844"
                           y3="8.4188"
                           yFract="0.99748815"
                           z3="6.39263"
                           zFract="0.28769712"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22335"
                           xFract="0.50039692"
                           y3="6.34294"
                           yFract="0.75153318"
                           z3="4.22985"
                           zFract="0.19036229"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32353"
                           xFract="0.74923341"
                           y3="4.2250"
                           yFract="0.50059242"
                           z3="4.19465"
                           zFract="0.18877813"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03492"
                           xFract="0.00413744"
                           y3="0.00039"
                           yFract="0.00004621"
                           z3="6.4080"
                           zFract="0.28838884"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1129"
                           xFract="0.2503436"
                           y3="2.09993"
                           yFract="0.24880687"
                           z3="6.4061"
                           zFract="0.28830333"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03996"
                           xFract="0.0047346"
                           y3="2.03857"
                           yFract="0.24153673"
                           z3="8.52517"
                           zFract="0.38367102"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14112"
                           xFract="0.2536872"
                           y3="6.34132"
                           yFract="0.75134123"
                           z3="6.37979"
                           zFract="0.28711926"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32989"
                           xFract="0.74998697"
                           y3="8.43364"
                           yFract="0.99924645"
                           z3="4.23993"
                           zFract="0.19081593"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24769"
                           xFract="0.74024763"
                           y3="4.2206"
                           yFract="0.50007109"
                           z3="8.52476"
                           zFract="0.38365257"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10721"
                           xFract="0.24966943"
                           y3="0.0137"
                           yFract="0.00162322"
                           z3="4.21925"
                           zFract="0.18988524"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18044"
                           xFract="0.4953128"
                           y3="6.32904"
                           yFract="0.74988626"
                           z3="8.68671"
                           zFract="0.39094104"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1254"
                           xFract="0.25182464"
                           y3="0.00755"
                           yFract="0.00089455"
                           z3="8.64412"
                           zFract="0.3890243"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02361"
                           xFract="0.00279739"
                           y3="2.07395"
                           yFract="0.24572867"
                           z3="4.22738"
                           zFract="0.19025113"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.21967"
                           xFract="0.26299408"
                           y3="4.22281"
                           yFract="0.50033294"
                           z3="8.62284"
                           zFract="0.38806661"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05402"
                           xFract="0.00640047"
                           y3="6.42375"
                           yFract="0.76110782"
                           z3="8.51388"
                           zFract="0.38316292"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19313"
                           xFract="0.49681635"
                           y3="4.25109"
                           yFract="0.50368365"
                           z3="6.40437"
                           zFract="0.28822547"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21692"
                           xFract="0.49963507"
                           y3="2.08866"
                           yFract="0.24747156"
                           z3="4.23749"
                           zFract="0.19070612"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.2820"
                           xFract="0.7443128"
                           y3="8.4294"
                           yFract="0.99874408"
                           z3="8.50648"
                           zFract="0.38282988"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33416"
                           xFract="0.75049289"
                           y3="2.09442"
                           yFract="0.24815403"
                           z3="6.3958"
                           zFract="0.28783978"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.2866"
                           xFract="0.74485782"
                           y3="6.33522"
                           yFract="0.75061848"
                           z3="6.4121"
                           zFract="0.28857336"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02431"
                           xFract="0.00288033"
                           y3="4.1956"
                           yFract="0.497109"
                           z3="6.19201"
                           zFract="0.27866832"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.1359"
                           xFract="0.25306872"
                           y3="4.22121"
                           yFract="0.50014336"
                           z3="4.23141"
                           zFract="0.19043249"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43321"
                           xFract="0.9991955"
                           y3="6.35756"
                           yFract="0.7532654"
                           z3="4.24661"
                           zFract="0.19111656"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02299"
                           xFract="0.00272393"
                           y3="2.12337"
                           yFract="0.25158412"
                           z3="6.50834"
                           zFract="0.29290459"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09939"
                           xFract="0.24874289"
                           y3="8.43471"
                           yFract="0.99937322"
                           z3="6.21848"
                           zFract="0.27985959"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37037"
                           xFract="0.99175"
                           y3="8.37442"
                           yFract="0.99222986"
                           z3="4.31161"
                           zFract="0.19404185"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05636"
                           xFract="0.00667773"
                           y3="0.01133"
                           yFract="0.00134242"
                           z3="8.58593"
                           zFract="0.38640549"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10916"
                           xFract="0.24990047"
                           y3="2.17677"
                           yFract="0.25791114"
                           z3="4.31591"
                           zFract="0.19423537"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14986"
                           xFract="0.25472275"
                           y3="2.15612"
                           yFract="0.25546445"
                           z3="8.53209"
                           zFract="0.38398245"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20389"
                           xFract="0.49809123"
                           y3="2.08823"
                           yFract="0.24742062"
                           z3="6.4145"
                           zFract="0.28868137"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33824"
                           xFract="0.7509763"
                           y3="8.42934"
                           yFract="0.99873697"
                           z3="6.36843"
                           zFract="0.28660801"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.28097"
                           xFract="0.50722393"
                           y3="8.4185"
                           yFract="0.99745261"
                           z3="4.22649"
                           zFract="0.19021107"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14571"
                           xFract="0.49119787"
                           y3="0.07555"
                           yFract="0.00895142"
                           z3="8.48635"
                           zFract="0.38192394"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.35029"
                           xFract="0.75240403"
                           y3="2.1145"
                           yFract="0.25053318"
                           z3="4.22768"
                           zFract="0.19026463"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.28364"
                           xFract="0.74450711"
                           y3="2.07437"
                           yFract="0.24577844"
                           z3="8.59968"
                           zFract="0.3870243"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02081"
                           xFract="0.00246564"
                           y3="6.31796"
                           yFract="0.74857346"
                           z3="6.45882"
                           zFract="0.29067597"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06992"
                           xFract="0.24525118"
                           y3="4.23086"
                           yFract="0.50128673"
                           z3="6.33112"
                           zFract="0.28492889"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37341"
                           xFract="0.99211019"
                           y3="4.30336"
                           yFract="0.50987678"
                           z3="4.15656"
                           zFract="0.18706391"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29377"
                           xFract="0.98267417"
                           y3="4.14188"
                           yFract="0.49074408"
                           z3="9.06168"
                           zFract="0.40781638"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15399"
                           xFract="0.25521209"
                           y3="6.28025"
                           yFract="0.74410545"
                           z3="4.21218"
                           zFract="0.18956706"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15178"
                           xFract="0.25495024"
                           y3="6.28175"
                           yFract="0.74428318"
                           z3="8.53688"
                           zFract="0.38419802"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20217"
                           xFract="0.49788744"
                           y3="6.34819"
                           yFract="0.75215521"
                           z3="6.24318"
                           zFract="0.2809712"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.41309"
                           xFract="0.75984479"
                           y3="4.22069"
                           yFract="0.50008175"
                           z3="6.47379"
                           zFract="0.29134968"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29241"
                           xFract="0.50857938"
                           y3="4.23475"
                           yFract="0.50174763"
                           z3="4.23494"
                           zFract="0.19059136"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26427"
                           xFract="0.50524526"
                           y3="4.12697"
                           yFract="0.48897749"
                           z3="8.54234"
                           zFract="0.38444374"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27044"
                           xFract="0.74294313"
                           y3="6.31687"
                           yFract="0.74844431"
                           z3="4.21049"
                           zFract="0.189491"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.26802"
                           xFract="0.7426564"
                           y3="6.33961"
                           yFract="0.75113863"
                           z3="8.62284"
                           zFract="0.38806661"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.04189"
                           xFract="0.00496327"
                           y3="4.25047"
                           yFract="0.50361019"
                           z3="10.02952"
                           zFract="0.45137354"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19765"
                           xFract="0.4973519"
                           y3="2.09098"
                           yFract="0.24774645"
                           z3="8.49937"
                           zFract="0.3825099"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17733"
                           xFract="0.49494431"
                           y3="8.41658"
                           yFract="0.99722512"
                           z3="6.39325"
                           zFract="0.28772502"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22265"
                           xFract="0.50031398"
                           y3="6.34381"
                           yFract="0.75163626"
                           z3="4.22988"
                           zFract="0.19036364"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32515"
                           xFract="0.74942536"
                           y3="4.22568"
                           yFract="0.50067299"
                           z3="4.19471"
                           zFract="0.18878083"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03427"
                           xFract="0.00406043"
                           y3="0.00098"
                           yFract="0.00011611"
                           z3="6.4108"
                           zFract="0.28851485"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11096"
                           xFract="0.25011374"
                           y3="2.10095"
                           yFract="0.24892773"
                           z3="6.40583"
                           zFract="0.28829118"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04241"
                           xFract="0.00502488"
                           y3="2.04157"
                           yFract="0.24189218"
                           z3="8.53475"
                           zFract="0.38410216"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13991"
                           xFract="0.25354384"
                           y3="6.33969"
                           yFract="0.7511481"
                           z3="6.3788"
                           zFract="0.28707471"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3286"
                           xFract="0.74983412"
                           y3="8.43327"
                           yFract="0.99920261"
                           z3="4.23998"
                           zFract="0.19081818"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.2482"
                           xFract="0.74030806"
                           y3="4.21947"
                           yFract="0.4999372"
                           z3="8.52957"
                           zFract="0.38386904"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10845"
                           xFract="0.24981635"
                           y3="0.01361"
                           yFract="0.00161256"
                           z3="4.21974"
                           zFract="0.18990729"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.17871"
                           xFract="0.49510782"
                           y3="6.32821"
                           yFract="0.74978791"
                           z3="8.68471"
                           zFract="0.39085104"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12396"
                           xFract="0.25165403"
                           y3="0.0096"
                           yFract="0.00113744"
                           z3="8.64463"
                           zFract="0.38904725"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02442"
                           xFract="0.00289336"
                           y3="2.07546"
                           yFract="0.24590758"
                           z3="4.22969"
                           zFract="0.19035509"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.21311"
                           xFract="0.26221682"
                           y3="4.22306"
                           yFract="0.50036256"
                           z3="8.62402"
                           zFract="0.38811971"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05587"
                           xFract="0.00661967"
                           y3="6.41967"
                           yFract="0.76062441"
                           z3="8.5168"
                           zFract="0.38329433"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19352"
                           xFract="0.49686256"
                           y3="4.25081"
                           yFract="0.50365047"
                           z3="6.40454"
                           zFract="0.28823312"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21688"
                           xFract="0.49963033"
                           y3="2.08832"
                           yFract="0.24743128"
                           z3="4.23744"
                           zFract="0.19070387"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.28049"
                           xFract="0.74413389"
                           y3="8.43091"
                           yFract="0.99892299"
                           z3="8.50272"
                           zFract="0.38266067"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33627"
                           xFract="0.75074289"
                           y3="2.09482"
                           yFract="0.24820142"
                           z3="6.39544"
                           zFract="0.28782358"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.2882"
                           xFract="0.74504739"
                           y3="6.33368"
                           yFract="0.75043602"
                           z3="6.40984"
                           zFract="0.28847165"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02593"
                           xFract="0.00307227"
                           y3="4.19474"
                           yFract="0.49700711"
                           z3="6.19447"
                           zFract="0.27877903"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13645"
                           xFract="0.25313389"
                           y3="4.22147"
                           yFract="0.50017417"
                           z3="4.2339"
                           zFract="0.19054455"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43399"
                           xFract="0.99928791"
                           y3="6.35599"
                           yFract="0.75307938"
                           z3="4.24824"
                           zFract="0.19118992"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02344"
                           xFract="0.00277725"
                           y3="2.12445"
                           yFract="0.25171209"
                           z3="6.51116"
                           zFract="0.2930315"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09935"
                           xFract="0.24873815"
                           y3="8.43396"
                           yFract="0.99928436"
                           z3="6.22085"
                           zFract="0.27996625"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37257"
                           xFract="0.99201066"
                           y3="8.37218"
                           yFract="0.99196445"
                           z3="4.3147"
                           zFract="0.19418092"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.05968"
                           xFract="0.00707109"
                           y3="0.01268"
                           yFract="0.00150237"
                           z3="8.58612"
                           zFract="0.38641404"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10672"
                           xFract="0.24961137"
                           y3="2.17939"
                           yFract="0.25822156"
                           z3="4.31642"
                           zFract="0.19425833"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15348"
                           xFract="0.25515166"
                           y3="2.16079"
                           yFract="0.25601777"
                           z3="8.53262"
                           zFract="0.3840063"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20298"
                           xFract="0.49798341"
                           y3="2.08843"
                           yFract="0.24744431"
                           z3="6.41081"
                           zFract="0.2885153"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33686"
                           xFract="0.7508128"
                           y3="8.42782"
                           yFract="0.99855687"
                           z3="6.36778"
                           zFract="0.28657876"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27893"
                           xFract="0.50698223"
                           y3="8.41943"
                           yFract="0.9975628"
                           z3="4.2274"
                           zFract="0.19025203"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14358"
                           xFract="0.4909455"
                           y3="0.07611"
                           yFract="0.00901777"
                           z3="8.48829"
                           zFract="0.38201125"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.35325"
                           xFract="0.75275474"
                           y3="2.11356"
                           yFract="0.2504218"
                           z3="4.22738"
                           zFract="0.19025113"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27965"
                           xFract="0.74403436"
                           y3="2.07022"
                           yFract="0.24528673"
                           z3="8.59751"
                           zFract="0.38692664"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02076"
                           xFract="0.00245972"
                           y3="6.31865"
                           yFract="0.74865521"
                           z3="6.46177"
                           zFract="0.29080873"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07043"
                           xFract="0.24531161"
                           y3="4.23155"
                           yFract="0.50136848"
                           z3="6.33118"
                           zFract="0.28493159"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37272"
                           xFract="0.99202844"
                           y3="4.3067"
                           yFract="0.51027251"
                           z3="4.16237"
                           zFract="0.18732538"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.29023"
                           xFract="0.98225474"
                           y3="4.13959"
                           yFract="0.49047275"
                           z3="9.0822"
                           zFract="0.40873987"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15559"
                           xFract="0.25540166"
                           y3="6.27714"
                           yFract="0.74373697"
                           z3="4.21239"
                           zFract="0.18957651"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14859"
                           xFract="0.25457227"
                           y3="6.27829"
                           yFract="0.74387322"
                           z3="8.53802"
                           zFract="0.38424932"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2019"
                           xFract="0.49785545"
                           y3="6.34739"
                           yFract="0.75206043"
                           z3="6.24392"
                           zFract="0.2810045"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.41601"
                           xFract="0.76019076"
                           y3="4.22089"
                           yFract="0.50010545"
                           z3="6.4792"
                           zFract="0.29159316"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2937"
                           xFract="0.50873223"
                           y3="4.23411"
                           yFract="0.5016718"
                           z3="4.23744"
                           zFract="0.19070387"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27119"
                           xFract="0.50606517"
                           y3="4.1283"
                           yFract="0.48913507"
                           z3="8.54036"
                           zFract="0.38435464"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.26983"
                           xFract="0.74287085"
                           y3="6.31726"
                           yFract="0.74849052"
                           z3="4.20917"
                           zFract="0.18943159"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.2705"
                           xFract="0.74295024"
                           y3="6.34387"
                           yFract="0.75164336"
                           z3="8.62266"
                           zFract="0.38805851"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.03704"
                           xFract="0.00438863"
                           y3="4.24939"
                           yFract="0.50348223"
                           z3="10.08248"
                           zFract="0.45375698"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19194"
                           xFract="0.49667536"
                           y3="2.09273"
                           yFract="0.24795379"
                           z3="8.49361"
                           zFract="0.38225068"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17589"
                           xFract="0.4947737"
                           y3="8.41214"
                           yFract="0.99669905"
                           z3="6.39449"
                           zFract="0.28778083"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22123"
                           xFract="0.50014573"
                           y3="6.34555"
                           yFract="0.75184242"
                           z3="4.22995"
                           zFract="0.19036679"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.3284"
                           xFract="0.74981043"
                           y3="4.22705"
                           yFract="0.50083531"
                           z3="4.19485"
                           zFract="0.18878713"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03296"
                           xFract="0.00390521"
                           y3="0.00217"
                           yFract="0.00025711"
                           z3="6.41639"
                           zFract="0.28876643"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10706"
                           xFract="0.24965166"
                           y3="2.10299"
                           yFract="0.24916943"
                           z3="6.4053"
                           zFract="0.28826733"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04731"
                           xFract="0.00560545"
                           y3="2.04758"
                           yFract="0.24260427"
                           z3="8.55391"
                           zFract="0.38496445"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13749"
                           xFract="0.25325711"
                           y3="6.33644"
                           yFract="0.75076303"
                           z3="6.37683"
                           zFract="0.28698605"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32603"
                           xFract="0.74952962"
                           y3="8.43252"
                           yFract="0.99911374"
                           z3="4.24006"
                           zFract="0.19082178"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24922"
                           xFract="0.74042891"
                           y3="4.21722"
                           yFract="0.49967062"
                           z3="8.53919"
                           zFract="0.38430198"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.11093"
                           xFract="0.25011019"
                           y3="0.01343"
                           yFract="0.00159123"
                           z3="4.22074"
                           zFract="0.1899523"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.17525"
                           xFract="0.49469787"
                           y3="6.32655"
                           yFract="0.74959123"
                           z3="8.6807"
                           zFract="0.39067057"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12108"
                           xFract="0.2513128"
                           y3="0.0137"
                           yFract="0.00162322"
                           z3="8.64564"
                           zFract="0.38909271"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02603"
                           xFract="0.00308412"
                           y3="2.07849"
                           yFract="0.24626659"
                           z3="4.2343"
                           zFract="0.19056256"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.2000"
                           xFract="0.26066351"
                           y3="4.22355"
                           yFract="0.50042062"
                           z3="8.62638"
                           zFract="0.38822592"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05957"
                           xFract="0.00705806"
                           y3="6.4115"
                           yFract="0.7596564"
                           z3="8.52264"
                           zFract="0.38355716"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1943"
                           xFract="0.49695498"
                           y3="4.25027"
                           yFract="0.50358649"
                           z3="6.40488"
                           zFract="0.28824842"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21678"
                           xFract="0.49961848"
                           y3="2.08762"
                           yFract="0.24734834"
                           z3="4.23734"
                           zFract="0.19069937"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27746"
                           xFract="0.74377488"
                           y3="8.43392"
                           yFract="0.99927962"
                           z3="8.49521"
                           zFract="0.38232268"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34049"
                           xFract="0.75124289"
                           y3="2.0956"
                           yFract="0.24829384"
                           z3="6.39472"
                           zFract="0.28779118"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29141"
                           xFract="0.74542773"
                           y3="6.3306"
                           yFract="0.75007109"
                           z3="6.40531"
                           zFract="0.28826778"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02916"
                           xFract="0.00345498"
                           y3="4.19302"
                           yFract="0.49680332"
                           z3="6.19939"
                           zFract="0.27900045"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13756"
                           xFract="0.2532654"
                           y3="4.22198"
                           yFract="0.5002346"
                           z3="4.23888"
                           zFract="0.19076868"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43556"
                           xFract="0.99947393"
                           y3="6.35284"
                           yFract="0.75270616"
                           z3="4.2515"
                           zFract="0.19133663"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02435"
                           xFract="0.00288507"
                           y3="2.12662"
                           yFract="0.25196919"
                           z3="6.51681"
                           zFract="0.29328578"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09928"
                           xFract="0.24872986"
                           y3="8.43245"
                           yFract="0.99910545"
                           z3="6.2256"
                           zFract="0.28018002"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37696"
                           xFract="0.99253081"
                           y3="8.3677"
                           yFract="0.99143365"
                           z3="4.32089"
                           zFract="0.1944595"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0663"
                           xFract="0.00785545"
                           y3="0.0154"
                           yFract="0.00182464"
                           z3="8.5865"
                           zFract="0.38643114"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10185"
                           xFract="0.24903436"
                           y3="2.18464"
                           yFract="0.2588436"
                           z3="4.31743"
                           zFract="0.19430378"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1607"
                           xFract="0.25600711"
                           y3="2.17013"
                           yFract="0.25712441"
                           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="4.20117"
                           xFract="0.49776896"
                           y3="2.08883"
                           yFract="0.24749171"
                           z3="6.40342"
                           zFract="0.28818272"/>
                     <atom elementType="O"
                           id="a54"
                           x3="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="8.42476"
                           yFract="0.99819431"
                           z3="6.36648"
                           zFract="0.28652025"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27486"
                           xFract="0.5065"
                           y3="8.4213"
                           yFract="0.99778436"
                           z3="4.22923"
                           zFract="0.19033438"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13933"
                           xFract="0.49044194"
                           y3="0.07722"
                           yFract="0.00914929"
                           z3="8.49218"
                           zFract="0.38218632"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.35917"
                           xFract="0.75345616"
                           y3="2.11168"
                           yFract="0.25019905"
                           z3="4.22679"
                           zFract="0.19022457"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27166"
                           xFract="0.74308768"
                           y3="2.0619"
                           yFract="0.24430095"
                           z3="8.59317"
                           zFract="0.38673132"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02066"
                           xFract="0.00244787"
                           y3="6.32002"
                           yFract="0.74881754"
                           z3="6.46767"
                           zFract="0.29107426"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07147"
                           xFract="0.24543483"
                           y3="4.23293"
                           yFract="0.50153199"
                           z3="6.33131"
                           zFract="0.28493744"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37135"
                           xFract="0.99186611"
                           y3="4.31337"
                           yFract="0.5110628"
                           z3="4.17401"
                           zFract="0.18784923"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.28314"
                           xFract="0.98141469"
                           y3="4.13501"
                           yFract="0.48993009"
                           z3="9.12323"
                           zFract="0.41058641"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1588"
                           xFract="0.25578199"
                           y3="6.27091"
                           yFract="0.74299882"
                           z3="4.21281"
                           zFract="0.18959541"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14222"
                           xFract="0.25381754"
                           y3="6.27137"
                           yFract="0.74305332"
                           z3="8.54031"
                           zFract="0.38435239"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20137"
                           xFract="0.49779265"
                           y3="6.34579"
                           yFract="0.75187085"
                           z3="6.24538"
                           zFract="0.28107021"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42185"
                           xFract="0.7608827"
                           y3="4.22129"
                           yFract="0.50015284"
                           z3="6.49002"
                           zFract="0.29208011"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29626"
                           xFract="0.50903555"
                           y3="4.23284"
                           yFract="0.50152133"
                           z3="4.24244"
                           zFract="0.19092889"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.28504"
                           xFract="0.50770616"
                           y3="4.13097"
                           yFract="0.48945142"
                           z3="8.53642"
                           zFract="0.38417732"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.26859"
                           xFract="0.74272393"
                           y3="6.31804"
                           yFract="0.74858294"
                           z3="4.20653"
                           zFract="0.18931278"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27544"
                           xFract="0.74353555"
                           y3="6.3524"
                           yFract="0.75265403"
                           z3="8.62231"
                           zFract="0.38804275"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.0404"
                           xFract="0.00478673"
                           y3="4.25014"
                           yFract="0.50357109"
                           z3="10.04584"
                           zFract="0.45210801"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19589"
                           xFract="0.49714336"
                           y3="2.09152"
                           yFract="0.24781043"
                           z3="8.4976"
                           zFract="0.38243024"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17688"
                           xFract="0.494891"
                           y3="8.41521"
                           yFract="0.9970628"
                           z3="6.39364"
                           zFract="0.28774257"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22221"
                           xFract="0.50026185"
                           y3="6.34435"
                           yFract="0.75170024"
                           z3="4.2299"
                           zFract="0.19036454"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32615"
                           xFract="0.74954384"
                           y3="4.2261"
                           yFract="0.50072275"
                           z3="4.19476"
                           zFract="0.18878308"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03386"
                           xFract="0.00401185"
                           y3="0.00135"
                           yFract="0.00015995"
                           z3="6.41252"
                           zFract="0.28859226"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10976"
                           xFract="0.24997156"
                           y3="2.10158"
                           yFract="0.24900237"
                           z3="6.40567"
                           zFract="0.28828398"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04392"
                           xFract="0.00520379"
                           y3="2.04343"
                           yFract="0.24211256"
                           z3="8.54066"
                           zFract="0.38436814"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13917"
                           xFract="0.25345616"
                           y3="6.33869"
                           yFract="0.75102962"
                           z3="6.3782"
                           zFract="0.2870477"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32781"
                           xFract="0.74974052"
                           y3="8.43304"
                           yFract="0.99917536"
                           z3="4.2400"
                           zFract="0.19081908"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24851"
                           xFract="0.74034479"
                           y3="4.21878"
                           yFract="0.49985545"
                           z3="8.53254"
                           zFract="0.3840027"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10921"
                           xFract="0.2499064"
                           y3="0.01356"
                           yFract="0.00160664"
                           z3="4.22005"
                           zFract="0.18992124"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.17764"
                           xFract="0.49498104"
                           y3="6.3277"
                           yFract="0.74972749"
                           z3="8.68347"
                           zFract="0.39079523"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12307"
                           xFract="0.25154858"
                           y3="0.01086"
                           yFract="0.00128673"
                           z3="8.64494"
                           zFract="0.38906121"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02492"
                           xFract="0.00295261"
                           y3="2.0764"
                           yFract="0.24601896"
                           z3="4.23111"
                           zFract="0.19041899"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20907"
                           xFract="0.26173815"
                           y3="4.22321"
                           yFract="0.50038033"
                           z3="8.62475"
                           zFract="0.38815257"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05701"
                           xFract="0.00675474"
                           y3="6.41715"
                           yFract="0.76032583"
                           z3="8.5186"
                           zFract="0.38337534"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19376"
                           xFract="0.496891"
                           y3="4.25065"
                           yFract="0.50363152"
                           z3="6.40464"
                           zFract="0.28823762"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21685"
                           xFract="0.49962678"
                           y3="2.0881"
                           yFract="0.24740521"
                           z3="4.23741"
                           zFract="0.19070252"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27955"
                           xFract="0.74402251"
                           y3="8.43184"
                           yFract="0.99903318"
                           z3="8.50041"
                           zFract="0.38255671"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33757"
                           xFract="0.75089692"
                           y3="2.09506"
                           yFract="0.24822986"
                           z3="6.39522"
                           zFract="0.28781368"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28919"
                           xFract="0.74516469"
                           y3="6.33273"
                           yFract="0.75032346"
                           z3="6.40844"
                           zFract="0.28840864"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02692"
                           xFract="0.00318957"
                           y3="4.19421"
                           yFract="0.49694431"
                           z3="6.19598"
                           zFract="0.27884698"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13679"
                           xFract="0.25317417"
                           y3="4.22163"
                           yFract="0.50019313"
                           z3="4.23544"
                           zFract="0.19061386"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43447"
                           xFract="0.99934479"
                           y3="6.35502"
                           yFract="0.75296445"
                           z3="4.24925"
                           zFract="0.19123537"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02372"
                           xFract="0.00281043"
                           y3="2.12512"
                           yFract="0.25179147"
                           z3="6.5129"
                           zFract="0.29310981"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09933"
                           xFract="0.24873578"
                           y3="8.43349"
                           yFract="0.99922867"
                           z3="6.22232"
                           zFract="0.2800324"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37392"
                           xFract="0.99217062"
                           y3="8.3708"
                           yFract="0.99180095"
                           z3="4.31661"
                           zFract="0.19426688"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06172"
                           xFract="0.0073128"
                           y3="0.01352"
                           yFract="0.0016019"
                           z3="8.58624"
                           zFract="0.38641944"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10522"
                           xFract="0.24943365"
                           y3="2.18101"
                           yFract="0.25841351"
                           z3="4.31673"
                           zFract="0.19427228"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1557"
                           xFract="0.25541469"
                           y3="2.16367"
                           yFract="0.256359"
                           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="4.20242"
                           xFract="0.49791706"
                           y3="2.08855"
                           yFract="0.24745853"
                           z3="6.40853"
                           zFract="0.28841269"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33601"
                           xFract="0.75071209"
                           y3="8.42687"
                           yFract="0.99844431"
                           z3="6.36738"
                           zFract="0.28656076"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27768"
                           xFract="0.50683412"
                           y3="8.42001"
                           yFract="0.99763152"
                           z3="4.22797"
                           zFract="0.19027768"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14227"
                           xFract="0.49079028"
                           y3="0.07645"
                           yFract="0.00905806"
                           z3="8.48949"
                           zFract="0.38206526"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.35507"
                           xFract="0.75297038"
                           y3="2.11298"
                           yFract="0.25035308"
                           z3="4.2272"
                           zFract="0.19024302"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27718"
                           xFract="0.74374171"
                           y3="2.06765"
                           yFract="0.24498223"
                           z3="8.59617"
                           zFract="0.38686634"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02073"
                           xFract="0.00245616"
                           y3="6.31907"
                           yFract="0.74870498"
                           z3="6.46359"
                           zFract="0.29089064"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07075"
                           xFract="0.24534953"
                           y3="4.23198"
                           yFract="0.50141943"
                           z3="6.33122"
                           zFract="0.28493339"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3723"
                           xFract="0.99197867"
                           y3="4.30875"
                           yFract="0.5105154"
                           z3="4.16596"
                           zFract="0.18748695"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.28804"
                           xFract="0.98199526"
                           y3="4.13818"
                           yFract="0.49030569"
                           z3="9.09485"
                           zFract="0.40930918"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15658"
                           xFract="0.25551896"
                           y3="6.27522"
                           yFract="0.74350948"
                           z3="4.21252"
                           zFract="0.18958236"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14663"
                           xFract="0.25434005"
                           y3="6.27616"
                           yFract="0.74362085"
                           z3="8.53873"
                           zFract="0.38428128"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20174"
                           xFract="0.49783649"
                           y3="6.3469"
                           yFract="0.75200237"
                           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="6.41781"
                           xFract="0.76040403"
                           y3="4.22101"
                           yFract="0.50011967"
                           z3="6.48253"
                           zFract="0.29174302"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29449"
                           xFract="0.50882583"
                           y3="4.23372"
                           yFract="0.50162559"
                           z3="4.23898"
                           zFract="0.19077318"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27546"
                           xFract="0.50657109"
                           y3="4.12913"
                           yFract="0.48923341"
                           z3="8.53915"
                           zFract="0.38430018"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.26945"
                           xFract="0.74282583"
                           y3="6.3175"
                           yFract="0.74851896"
                           z3="4.20836"
                           zFract="0.18939514"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27202"
                           xFract="0.74313033"
                           y3="6.3465"
                           yFract="0.75195498"
                           z3="8.62255"
                           zFract="0.38805356"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.03943"
                           xFract="0.0046718"
                           y3="4.24987"
                           yFract="0.5035391"
                           z3="10.05048"
                           zFract="0.45231683"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19617"
                           xFract="0.49717654"
                           y3="2.09226"
                           yFract="0.2478981"
                           z3="8.49724"
                           zFract="0.38241404"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17676"
                           xFract="0.49487678"
                           y3="8.41515"
                           yFract="0.99705569"
                           z3="6.39353"
                           zFract="0.28773762"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22235"
                           xFract="0.50027844"
                           y3="6.34431"
                           yFract="0.7516955"
                           z3="4.23034"
                           zFract="0.19038434"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32637"
                           xFract="0.74956991"
                           y3="4.2261"
                           yFract="0.50072275"
                           z3="4.19507"
                           zFract="0.18879703"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03364"
                           xFract="0.00398578"
                           y3="0.00135"
                           yFract="0.00015995"
                           z3="6.41325"
                           zFract="0.28862511"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10978"
                           xFract="0.24997393"
                           y3="2.10165"
                           yFract="0.24901066"
                           z3="6.40575"
                           zFract="0.28828758"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04397"
                           xFract="0.00520972"
                           y3="2.04306"
                           yFract="0.24206872"
                           z3="8.54192"
                           zFract="0.38442484"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13892"
                           xFract="0.25342654"
                           y3="6.33862"
                           yFract="0.75102133"
                           z3="6.37815"
                           zFract="0.28704545"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32809"
                           xFract="0.7497737"
                           y3="8.43297"
                           yFract="0.99916706"
                           z3="4.24017"
                           zFract="0.19082673"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24875"
                           xFract="0.74037322"
                           y3="4.21867"
                           yFract="0.49984242"
                           z3="8.53346"
                           zFract="0.3840441"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10919"
                           xFract="0.24990403"
                           y3="0.01351"
                           yFract="0.00160071"
                           z3="4.22035"
                           zFract="0.18993474"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.17794"
                           xFract="0.49501659"
                           y3="6.32785"
                           yFract="0.74974526"
                           z3="8.6832"
                           zFract="0.39078308"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12336"
                           xFract="0.25158294"
                           y3="0.01104"
                           yFract="0.00130806"
                           z3="8.64501"
                           zFract="0.38906436"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02489"
                           xFract="0.00294905"
                           y3="2.07631"
                           yFract="0.24600829"
                           z3="4.23142"
                           zFract="0.19043294"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.2087"
                           xFract="0.26169431"
                           y3="4.22338"
                           yFract="0.50040047"
                           z3="8.62499"
                           zFract="0.38816337"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05669"
                           xFract="0.00671682"
                           y3="6.41737"
                           yFract="0.7603519"
                           z3="8.51899"
                           zFract="0.38339289"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19402"
                           xFract="0.4969218"
                           y3="4.25034"
                           yFract="0.50359479"
                           z3="6.4046"
                           zFract="0.28823582"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21675"
                           xFract="0.49961493"
                           y3="2.08817"
                           yFract="0.24741351"
                           z3="4.23742"
                           zFract="0.19070297"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27909"
                           xFract="0.74396801"
                           y3="8.43158"
                           yFract="0.99900237"
                           z3="8.50005"
                           zFract="0.3825405"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33781"
                           xFract="0.75092536"
                           y3="2.09525"
                           yFract="0.24825237"
                           z3="6.39538"
                           zFract="0.28782088"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.28963"
                           xFract="0.74521682"
                           y3="6.33231"
                           yFract="0.7502737"
                           z3="6.40846"
                           zFract="0.28840954"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02695"
                           xFract="0.00319313"
                           y3="4.19437"
                           yFract="0.49696327"
                           z3="6.19628"
                           zFract="0.27886049"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13701"
                           xFract="0.25320024"
                           y3="4.22159"
                           yFract="0.50018839"
                           z3="4.23555"
                           zFract="0.19061881"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43474"
                           xFract="0.99937678"
                           y3="6.35515"
                           yFract="0.75297986"
                           z3="4.24957"
                           zFract="0.19124977"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02406"
                           xFract="0.00285071"
                           y3="2.1255"
                           yFract="0.25183649"
                           z3="6.51378"
                           zFract="0.29314941"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09941"
                           xFract="0.24874526"
                           y3="8.43343"
                           yFract="0.99922156"
                           z3="6.22244"
                           zFract="0.2800378"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37397"
                           xFract="0.99217654"
                           y3="8.37022"
                           yFract="0.99173223"
                           z3="4.31702"
                           zFract="0.19428533"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06225"
                           xFract="0.00737559"
                           y3="0.01384"
                           yFract="0.00163981"
                           z3="8.58671"
                           zFract="0.38644059"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10446"
                           xFract="0.2493436"
                           y3="2.18163"
                           yFract="0.25848697"
                           z3="4.31678"
                           zFract="0.19427453"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.15605"
                           xFract="0.25545616"
                           y3="2.16497"
                           yFract="0.25651303"
                           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="4.20234"
                           xFract="0.49790758"
                           y3="2.08859"
                           yFract="0.24746327"
                           z3="6.40835"
                           zFract="0.28840459"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3359"
                           xFract="0.75069905"
                           y3="8.42688"
                           yFract="0.9984455"
                           z3="6.36682"
                           zFract="0.28653555"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27736"
                           xFract="0.50679621"
                           y3="8.42054"
                           yFract="0.99769431"
                           z3="4.22779"
                           zFract="0.19026958"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.14161"
                           xFract="0.49071209"
                           y3="0.07613"
                           yFract="0.00902014"
                           z3="8.48963"
                           zFract="0.38207156"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.35581"
                           xFract="0.75305806"
                           y3="2.11305"
                           yFract="0.25036137"
                           z3="4.22741"
                           zFract="0.19025248"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27655"
                           xFract="0.74366706"
                           y3="2.06724"
                           yFract="0.24493365"
                           z3="8.59615"
                           zFract="0.38686544"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02098"
                           xFract="0.00248578"
                           y3="6.31876"
                           yFract="0.74866825"
                           z3="6.46407"
                           zFract="0.29091224"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07063"
                           xFract="0.24533531"
                           y3="4.23201"
                           yFract="0.50142299"
                           z3="6.3318"
                           zFract="0.2849595"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3720"
                           xFract="0.99194313"
                           y3="4.30942"
                           yFract="0.51059479"
                           z3="4.16637"
                           zFract="0.1875054"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.2870"
                           xFract="0.98187204"
                           y3="4.13751"
                           yFract="0.4902263"
                           z3="9.10005"
                           zFract="0.4095432"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15611"
                           xFract="0.25546327"
                           y3="6.27465"
                           yFract="0.74344194"
                           z3="4.21267"
                           zFract="0.18958911"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14627"
                           xFract="0.25429739"
                           y3="6.27496"
                           yFract="0.74347867"
                           z3="8.53894"
                           zFract="0.38429073"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20167"
                           xFract="0.4978282"
                           y3="6.34681"
                           yFract="0.75199171"
                           z3="6.24452"
                           zFract="0.2810315"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.41878"
                           xFract="0.76051896"
                           y3="4.22099"
                           yFract="0.5001173"
                           z3="6.48319"
                           zFract="0.29177273"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29486"
                           xFract="0.50886967"
                           y3="4.23323"
                           yFract="0.50156754"
                           z3="4.23917"
                           zFract="0.19078173"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27526"
                           xFract="0.50654739"
                           y3="4.12911"
                           yFract="0.48923104"
                           z3="8.53912"
                           zFract="0.38429883"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.26964"
                           xFract="0.74284834"
                           y3="6.31745"
                           yFract="0.74851303"
                           z3="4.2084"
                           zFract="0.18939694"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27244"
                           xFract="0.74318009"
                           y3="6.34712"
                           yFract="0.75202844"
                           z3="8.62282"
                           zFract="0.38806571"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a33" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.03654"
                           xFract="0.00432938"
                           y3="4.24908"
                           yFract="0.5034455"
                           z3="10.06437"
                           zFract="0.45294194"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19701"
                           xFract="0.49727607"
                           y3="2.09448"
                           yFract="0.24816114"
                           z3="8.49616"
                           zFract="0.38236544"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17637"
                           xFract="0.49483057"
                           y3="8.41499"
                           yFract="0.99703673"
                           z3="6.39322"
                           zFract="0.28772367"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22276"
                           xFract="0.50032701"
                           y3="6.34422"
                           yFract="0.75168483"
                           z3="4.23166"
                           zFract="0.19044374"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32704"
                           xFract="0.74964929"
                           y3="4.22611"
                           yFract="0.50072393"
                           z3="4.1960"
                           zFract="0.18883888"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03298"
                           xFract="0.00390758"
                           y3="0.00135"
                           yFract="0.00015995"
                           z3="6.41543"
                           zFract="0.28872322"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.10987"
                           xFract="0.2499846"
                           y3="2.10189"
                           yFract="0.2490391"
                           z3="6.40598"
                           zFract="0.28829793"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04411"
                           xFract="0.0052263"
                           y3="2.04194"
                           yFract="0.24193602"
                           z3="8.54571"
                           zFract="0.38459541"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13818"
                           xFract="0.25333886"
                           y3="6.33842"
                           yFract="0.75099763"
                           z3="6.3780"
                           zFract="0.2870387"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.32894"
                           xFract="0.74987441"
                           y3="8.43276"
                           yFract="0.99914218"
                           z3="4.24066"
                           zFract="0.19084878"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.24944"
                           xFract="0.74045498"
                           y3="4.21836"
                           yFract="0.49980569"
                           z3="8.53622"
                           zFract="0.38416832"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10912"
                           xFract="0.24989573"
                           y3="0.01336"
                           yFract="0.00158294"
                           z3="4.22125"
                           zFract="0.18997525"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.17885"
                           xFract="0.49512441"
                           y3="6.32829"
                           yFract="0.74979739"
                           z3="8.68239"
                           zFract="0.39074662"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12424"
                           xFract="0.2516872"
                           y3="0.01158"
                           yFract="0.00137204"
                           z3="8.64522"
                           zFract="0.38907381"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0248"
                           xFract="0.00293839"
                           y3="2.07605"
                           yFract="0.24597749"
                           z3="4.23234"
                           zFract="0.19047435"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20758"
                           xFract="0.26156161"
                           y3="4.22392"
                           yFract="0.50046445"
                           z3="8.62573"
                           zFract="0.38819667"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05574"
                           xFract="0.00660427"
                           y3="6.41802"
                           yFract="0.76042891"
                           z3="8.52015"
                           zFract="0.38344509"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19481"
                           xFract="0.4970154"
                           y3="4.24942"
                           yFract="0.50348578"
                           z3="6.40448"
                           zFract="0.28823042"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21647"
                           xFract="0.49958175"
                           y3="2.08837"
                           yFract="0.2474372"
                           z3="4.23744"
                           zFract="0.19070387"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27769"
                           xFract="0.74380213"
                           y3="8.43083"
                           yFract="0.99891351"
                           z3="8.49899"
                           zFract="0.3824928"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33852"
                           xFract="0.75100948"
                           y3="2.09583"
                           yFract="0.24832109"
                           z3="6.39586"
                           zFract="0.28784248"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29096"
                           xFract="0.74537441"
                           y3="6.33104"
                           yFract="0.75012322"
                           z3="6.4085"
                           zFract="0.28841134"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02704"
                           xFract="0.00320379"
                           y3="4.19485"
                           yFract="0.49702014"
                           z3="6.19718"
                           zFract="0.27890099"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13768"
                           xFract="0.25327962"
                           y3="4.22149"
                           yFract="0.50017654"
                           z3="4.23591"
                           zFract="0.19063501"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43554"
                           xFract="0.99947156"
                           y3="6.35556"
                           yFract="0.75302844"
                           z3="4.25054"
                           zFract="0.19129343"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02508"
                           xFract="0.00297156"
                           y3="2.12664"
                           yFract="0.25197156"
                           z3="6.51641"
                           zFract="0.29326778"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09965"
                           xFract="0.2487737"
                           y3="8.43324"
                           yFract="0.99919905"
                           z3="6.2228"
                           zFract="0.28005401"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37412"
                           xFract="0.99219431"
                           y3="8.3685"
                           yFract="0.99152844"
                           z3="4.31825"
                           zFract="0.19434068"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06386"
                           xFract="0.00756635"
                           y3="0.01481"
                           yFract="0.00175474"
                           z3="8.58814"
                           zFract="0.38650495"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.10216"
                           xFract="0.24907109"
                           y3="2.1835"
                           yFract="0.25870853"
                           z3="4.31694"
                           zFract="0.19428173"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1571"
                           xFract="0.25558057"
                           y3="2.16887"
                           yFract="0.25697512"
                           z3="8.53349"
                           zFract="0.38404545"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2021"
                           xFract="0.49787915"
                           y3="2.0887"
                           yFract="0.2474763"
                           z3="6.40783"
                           zFract="0.28838119"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33557"
                           xFract="0.75065995"
                           y3="8.42691"
                           yFract="0.99844905"
                           z3="6.36516"
                           zFract="0.28646085"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2764"
                           xFract="0.50668246"
                           y3="8.42213"
                           yFract="0.9978827"
                           z3="4.22726"
                           zFract="0.19024572"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13962"
                           xFract="0.4904763"
                           y3="0.07516"
                           yFract="0.00890521"
                           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="6.35801"
                           xFract="0.75331872"
                           y3="2.11324"
                           yFract="0.25038389"
                           z3="4.22802"
                           zFract="0.19027993"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27466"
                           xFract="0.74344313"
                           y3="2.06601"
                           yFract="0.24478791"
                           z3="8.59607"
                           zFract="0.38686184"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02173"
                           xFract="0.00257464"
                           y3="6.31784"
                           yFract="0.74855924"
                           z3="6.46549"
                           zFract="0.29097615"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07027"
                           xFract="0.24529265"
                           y3="4.2321"
                           yFract="0.50143365"
                           z3="6.33352"
                           zFract="0.2850369"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.37109"
                           xFract="0.99183531"
                           y3="4.31141"
                           yFract="0.51083057"
                           z3="4.16759"
                           zFract="0.18756031"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.28388"
                           xFract="0.98150237"
                           y3="4.1355"
                           yFract="0.48998815"
                           z3="9.11564"
                           zFract="0.41024482"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15471"
                           xFract="0.25529739"
                           y3="6.27295"
                           yFract="0.74324052"
                           z3="4.21313"
                           zFract="0.18960981"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14518"
                           xFract="0.25416825"
                           y3="6.27139"
                           yFract="0.74305569"
                           z3="8.5396"
                           zFract="0.38432043"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20146"
                           xFract="0.49780332"
                           y3="6.34656"
                           yFract="0.75196209"
                           z3="6.24498"
                           zFract="0.28105221"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42167"
                           xFract="0.76086137"
                           y3="4.22093"
                           yFract="0.50011019"
                           z3="6.48517"
                           zFract="0.29186184"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2960"
                           xFract="0.50900474"
                           y3="4.23177"
                           yFract="0.50139455"
                           z3="4.23971"
                           zFract="0.19080603"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27466"
                           xFract="0.5064763"
                           y3="4.12907"
                           yFract="0.4892263"
                           z3="8.53905"
                           zFract="0.38429568"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27023"
                           xFract="0.74291825"
                           y3="6.31729"
                           yFract="0.74849408"
                           z3="4.20851"
                           zFract="0.18940189"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27371"
                           xFract="0.74333057"
                           y3="6.34896"
                           yFract="0.75224645"
                           z3="8.62363"
                           zFract="0.38810216"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.03075"
                           xFract="0.00364336"
                           y3="4.24748"
                           yFract="0.50325592"
                           z3="10.09217"
                           zFract="0.45419307"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.1987"
                           xFract="0.4974763"
                           y3="2.09892"
                           yFract="0.2486872"
                           z3="8.4940"
                           zFract="0.38226823"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17561"
                           xFract="0.49474052"
                           y3="8.41467"
                           yFract="0.99699882"
                           z3="6.3926"
                           zFract="0.28769577"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22359"
                           xFract="0.50042536"
                           y3="6.34404"
                           yFract="0.75166351"
                           z3="4.23428"
                           zFract="0.19056166"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32836"
                           xFract="0.74980569"
                           y3="4.22612"
                           yFract="0.50072512"
                           z3="4.19786"
                           zFract="0.18892259"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03166"
                           xFract="0.00375118"
                           y3="0.00136"
                           yFract="0.00016114"
                           z3="6.41978"
                           zFract="0.28891899"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11003"
                           xFract="0.25000355"
                           y3="2.10235"
                           yFract="0.2490936"
                           z3="6.40646"
                           zFract="0.28831953"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04439"
                           xFract="0.00525948"
                           y3="2.03972"
                           yFract="0.24167299"
                           z3="8.5533"
                           zFract="0.38493699"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13671"
                           xFract="0.25316469"
                           y3="6.33802"
                           yFract="0.75095024"
                           z3="6.37771"
                           zFract="0.28702565"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33064"
                           xFract="0.75007583"
                           y3="8.43233"
                           yFract="0.99909123"
                           z3="4.24164"
                           zFract="0.19089289"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25084"
                           xFract="0.74062085"
                           y3="4.21773"
                           yFract="0.49973104"
                           z3="8.54174"
                           zFract="0.38441674"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10897"
                           xFract="0.24987796"
                           y3="0.01306"
                           yFract="0.00154739"
                           z3="4.22306"
                           zFract="0.19005671"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18066"
                           xFract="0.49533886"
                           y3="6.32918"
                           yFract="0.74990284"
                           z3="8.68077"
                           zFract="0.39067372"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12599"
                           xFract="0.25189455"
                           y3="0.01265"
                           yFract="0.00149882"
                           z3="8.64564"
                           zFract="0.38909271"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02463"
                           xFract="0.00291825"
                           y3="2.07554"
                           yFract="0.24591706"
                           z3="4.23418"
                           zFract="0.19055716"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20535"
                           xFract="0.26129739"
                           y3="4.22499"
                           yFract="0.50059123"
                           z3="8.62719"
                           zFract="0.38826238"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05384"
                           xFract="0.00637915"
                           y3="6.41933"
                           yFract="0.76058412"
                           z3="8.52247"
                           zFract="0.3835495"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1964"
                           xFract="0.49720379"
                           y3="4.24759"
                           yFract="0.50326896"
                           z3="6.40423"
                           zFract="0.28821917"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21591"
                           xFract="0.4995154"
                           y3="2.08878"
                           yFract="0.24748578"
                           z3="4.23749"
                           zFract="0.19070612"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.2749"
                           xFract="0.74347156"
                           y3="8.42931"
                           yFract="0.99873341"
                           z3="8.49688"
                           zFract="0.38239784"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.33995"
                           xFract="0.75117891"
                           y3="2.09699"
                           yFract="0.24845853"
                           z3="6.39682"
                           zFract="0.28788569"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.2936"
                           xFract="0.7456872"
                           y3="6.32849"
                           yFract="0.74982109"
                           z3="6.40858"
                           zFract="0.28841494"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02723"
                           xFract="0.0032263"
                           y3="4.1958"
                           yFract="0.4971327"
                           z3="6.19898"
                           zFract="0.278982"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13902"
                           xFract="0.25343839"
                           y3="4.22129"
                           yFract="0.50015284"
                           z3="4.23661"
                           zFract="0.19066652"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43715"
                           xFract="0.99966232"
                           y3="6.35638"
                           yFract="0.75312559"
                           z3="4.25248"
                           zFract="0.19138074"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02712"
                           xFract="0.00321327"
                           y3="2.12893"
                           yFract="0.25224289"
                           z3="6.52167"
                           zFract="0.2935045"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10013"
                           xFract="0.24883057"
                           y3="8.43286"
                           yFract="0.99915403"
                           z3="6.22354"
                           zFract="0.28008731"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37443"
                           xFract="0.99223104"
                           y3="8.36505"
                           yFract="0.99111967"
                           z3="4.32071"
                           zFract="0.1944514"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06706"
                           xFract="0.0079455"
                           y3="0.01674"
                           yFract="0.00198341"
                           z3="8.5910"
                           zFract="0.38663366"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09758"
                           xFract="0.24852844"
                           y3="2.18725"
                           yFract="0.25915284"
                           z3="4.31726"
                           zFract="0.19429613"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1592"
                           xFract="0.25582938"
                           y3="2.17666"
                           yFract="0.2578981"
                           z3="8.53432"
                           zFract="0.38408281"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20162"
                           xFract="0.49782227"
                           y3="2.08892"
                           yFract="0.24750237"
                           z3="6.40677"
                           zFract="0.28833348"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33491"
                           xFract="0.75058175"
                           y3="8.42696"
                           yFract="0.99845498"
                           z3="6.36184"
                           zFract="0.28631143"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2745"
                           xFract="0.50645735"
                           y3="8.42531"
                           yFract="0.99825948"
                           z3="4.2262"
                           zFract="0.19019802"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13565"
                           xFract="0.49000592"
                           y3="0.07323"
                           yFract="0.00867654"
                           z3="8.49088"
                           zFract="0.38212781"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.36241"
                           xFract="0.75384005"
                           y3="2.11364"
                           yFract="0.25043128"
                           z3="4.22925"
                           zFract="0.19033528"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.27088"
                           xFract="0.74299526"
                           y3="2.06355"
                           yFract="0.24449645"
                           z3="8.59591"
                           zFract="0.38685464"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02322"
                           xFract="0.00275118"
                           y3="6.31599"
                           yFract="0.74834005"
                           z3="6.46833"
                           zFract="0.29110396"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06955"
                           xFract="0.24520735"
                           y3="4.23229"
                           yFract="0.50145616"
                           z3="6.33698"
                           zFract="0.28519262"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36926"
                           xFract="0.99161848"
                           y3="4.3154"
                           yFract="0.51130332"
                           z3="4.17004"
                           zFract="0.18767057"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.27763"
                           xFract="0.98076185"
                           y3="4.13148"
                           yFract="0.48951185"
                           z3="9.14684"
                           zFract="0.41164896"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15191"
                           xFract="0.25496564"
                           y3="6.26954"
                           yFract="0.74283649"
                           z3="4.21406"
                           zFract="0.18965167"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14301"
                           xFract="0.25391114"
                           y3="6.26423"
                           yFract="0.74220735"
                           z3="8.54091"
                           zFract="0.38437939"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20105"
                           xFract="0.49775474"
                           y3="6.34606"
                           yFract="0.75190284"
                           z3="6.2459"
                           zFract="0.28109361"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.42747"
                           xFract="0.76154858"
                           y3="4.22081"
                           yFract="0.50009597"
                           z3="6.48912"
                           zFract="0.2920396"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29826"
                           xFract="0.50927251"
                           y3="4.22884"
                           yFract="0.50104739"
                           z3="4.2408"
                           zFract="0.19085509"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27347"
                           xFract="0.50633531"
                           y3="4.12898"
                           yFract="0.48921564"
                           z3="8.53891"
                           zFract="0.38428938"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27142"
                           xFract="0.74305924"
                           y3="6.31698"
                           yFract="0.74845735"
                           z3="4.20874"
                           zFract="0.18941224"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27625"
                           xFract="0.74363152"
                           y3="6.35265"
                           yFract="0.75268365"
                           z3="8.62526"
                           zFract="0.38817552"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02817"
                           xFract="0.00333768"
                           y3="4.24677"
                           yFract="0.5031718"
                           z3="10.10455"
                           zFract="0.45475023"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19945"
                           xFract="0.49756517"
                           y3="2.1009"
                           yFract="0.2489218"
                           z3="8.49303"
                           zFract="0.38222457"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17527"
                           xFract="0.49470024"
                           y3="8.41453"
                           yFract="0.99698223"
                           z3="6.39233"
                           zFract="0.28768362"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22395"
                           xFract="0.50046801"
                           y3="6.34396"
                           yFract="0.75165403"
                           z3="4.23545"
                           zFract="0.19061431"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32896"
                           xFract="0.74987678"
                           y3="4.22613"
                           yFract="0.5007263"
                           z3="4.19869"
                           zFract="0.18895995"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03108"
                           xFract="0.00368246"
                           y3="0.00136"
                           yFract="0.00016114"
                           z3="6.42173"
                           zFract="0.28900675"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1101"
                           xFract="0.25001185"
                           y3="2.10256"
                           yFract="0.24911848"
                           z3="6.40668"
                           zFract="0.28832943"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04451"
                           xFract="0.0052737"
                           y3="2.03873"
                           yFract="0.24155569"
                           z3="8.55668"
                           zFract="0.38508911"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13605"
                           xFract="0.25308649"
                           y3="6.33784"
                           yFract="0.75092891"
                           z3="6.37759"
                           zFract="0.28702025"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3314"
                           xFract="0.75016588"
                           y3="8.43214"
                           yFract="0.99906872"
                           z3="4.24208"
                           zFract="0.19091269"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25146"
                           xFract="0.74069431"
                           y3="4.21745"
                           yFract="0.49969787"
                           z3="8.5442"
                           zFract="0.38452745"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10891"
                           xFract="0.24987085"
                           y3="0.01293"
                           yFract="0.00153199"
                           z3="4.22387"
                           zFract="0.19009316"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18146"
                           xFract="0.49543365"
                           y3="6.32957"
                           yFract="0.74994905"
                           z3="8.68004"
                           zFract="0.39064086"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12677"
                           xFract="0.25198697"
                           y3="0.01313"
                           yFract="0.00155569"
                           z3="8.64583"
                           zFract="0.38910126"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02455"
                           xFract="0.00290877"
                           y3="2.07531"
                           yFract="0.24588981"
                           z3="4.23501"
                           zFract="0.19059451"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20436"
                           xFract="0.26118009"
                           y3="4.22546"
                           yFract="0.50064692"
                           z3="8.62785"
                           zFract="0.38829208"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0530"
                           xFract="0.00627962"
                           y3="6.41991"
                           yFract="0.76065284"
                           z3="8.52351"
                           zFract="0.38359631"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.1971"
                           xFract="0.49728673"
                           y3="4.24677"
                           yFract="0.5031718"
                           z3="6.40412"
                           zFract="0.28821422"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21566"
                           xFract="0.49948578"
                           y3="2.08896"
                           yFract="0.24750711"
                           z3="4.23751"
                           zFract="0.19070702"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27366"
                           xFract="0.74332464"
                           y3="8.42864"
                           yFract="0.99865403"
                           z3="8.49593"
                           zFract="0.38235509"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34059"
                           xFract="0.75125474"
                           y3="2.09751"
                           yFract="0.24852014"
                           z3="6.39725"
                           zFract="0.28790504"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29478"
                           xFract="0.74582701"
                           y3="6.32736"
                           yFract="0.7496872"
                           z3="6.40861"
                           zFract="0.28841629"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02731"
                           xFract="0.00323578"
                           y3="4.19623"
                           yFract="0.49718365"
                           z3="6.19978"
                           zFract="0.279018"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13962"
                           xFract="0.25350948"
                           y3="4.2212"
                           yFract="0.50014218"
                           z3="4.23693"
                           zFract="0.19068092"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43787"
                           xFract="0.99974763"
                           y3="6.35674"
                           yFract="0.75316825"
                           z3="4.25335"
                           zFract="0.19141989"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02803"
                           xFract="0.00332109"
                           y3="2.12995"
                           yFract="0.25236374"
                           z3="6.52401"
                           zFract="0.29360981"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10035"
                           xFract="0.24885664"
                           y3="8.43269"
                           yFract="0.99913389"
                           z3="6.22386"
                           zFract="0.28010171"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37456"
                           xFract="0.99224645"
                           y3="8.36351"
                           yFract="0.9909372"
                           z3="4.32181"
                           zFract="0.1945009"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06849"
                           xFract="0.00811493"
                           y3="0.0176"
                           yFract="0.00208531"
                           z3="8.59227"
                           zFract="0.38669082"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09553"
                           xFract="0.24828555"
                           y3="2.18891"
                           yFract="0.25934953"
                           z3="4.3174"
                           zFract="0.19430243"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16013"
                           xFract="0.25593957"
                           y3="2.18014"
                           yFract="0.25831043"
                           z3="8.53469"
                           zFract="0.38409946"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2014"
                           xFract="0.49779621"
                           y3="2.08901"
                           yFract="0.24751303"
                           z3="6.4063"
                           zFract="0.28831233"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33461"
                           xFract="0.75054621"
                           y3="8.42698"
                           yFract="0.99845735"
                           z3="6.36036"
                           zFract="0.28624482"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27365"
                           xFract="0.50635664"
                           y3="8.42672"
                           yFract="0.99842654"
                           z3="4.22572"
                           zFract="0.19017642"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13389"
                           xFract="0.48979739"
                           y3="0.07237"
                           yFract="0.00857464"
                           z3="8.49125"
                           zFract="0.38214446"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.36437"
                           xFract="0.75407227"
                           y3="2.11381"
                           yFract="0.25045142"
                           z3="4.2298"
                           zFract="0.19036004"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2692"
                           xFract="0.74279621"
                           y3="2.06245"
                           yFract="0.24436611"
                           z3="8.59585"
                           zFract="0.38685194"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02389"
                           xFract="0.00283057"
                           y3="6.31517"
                           yFract="0.74824289"
                           z3="6.4696"
                           zFract="0.29116112"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06923"
                           xFract="0.24516943"
                           y3="4.23238"
                           yFract="0.50146682"
                           z3="6.33851"
                           zFract="0.28526148"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36845"
                           xFract="0.99152251"
                           y3="4.31718"
                           yFract="0.51151422"
                           z3="4.17113"
                           zFract="0.18771962"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.27485"
                           xFract="0.98043246"
                           y3="4.12969"
                           yFract="0.48929976"
                           z3="9.16073"
                           zFract="0.41227408"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15066"
                           xFract="0.25481754"
                           y3="6.26802"
                           yFract="0.7426564"
                           z3="4.21447"
                           zFract="0.18967012"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14204"
                           xFract="0.25379621"
                           y3="6.26104"
                           yFract="0.74182938"
                           z3="8.54149"
                           zFract="0.38440549"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20087"
                           xFract="0.49773341"
                           y3="6.34584"
                           yFract="0.75187678"
                           z3="6.24631"
                           zFract="0.28111206"/>
                     <atom elementType="O"
                           id="a74"
                           x3="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="4.22076"
                           yFract="0.50009005"
                           z3="6.49088"
                           zFract="0.29211881"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29927"
                           xFract="0.50939218"
                           y3="4.22754"
                           yFract="0.50089336"
                           z3="4.24129"
                           zFract="0.19087714"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27294"
                           xFract="0.50627251"
                           y3="4.12894"
                           yFract="0.4892109"
                           z3="8.53885"
                           zFract="0.38428668"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27194"
                           xFract="0.74312085"
                           y3="6.31684"
                           yFract="0.74844076"
                           z3="4.20884"
                           zFract="0.18941674"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27738"
                           xFract="0.7437654"
                           y3="6.35429"
                           yFract="0.75287796"
                           z3="8.62598"
                           zFract="0.38820792"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02535"
                           xFract="0.00300355"
                           y3="4.24647"
                           yFract="0.50313626"
                           z3="10.12357"
                           zFract="0.45560621"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20054"
                           xFract="0.49769431"
                           y3="2.10168"
                           yFract="0.24901422"
                           z3="8.49374"
                           zFract="0.38225653"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17516"
                           xFract="0.4946872"
                           y3="8.41539"
                           yFract="0.99708412"
                           z3="6.39204"
                           zFract="0.28767057"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22451"
                           xFract="0.50053436"
                           y3="6.34366"
                           yFract="0.75161848"
                           z3="4.23643"
                           zFract="0.19065842"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32953"
                           xFract="0.74994431"
                           y3="4.22585"
                           yFract="0.50069313"
                           z3="4.19933"
                           zFract="0.18898875"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03083"
                           xFract="0.00365284"
                           y3="0.00154"
                           yFract="0.00018246"
                           z3="6.42358"
                           zFract="0.28909001"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11044"
                           xFract="0.25005213"
                           y3="2.10289"
                           yFract="0.24915758"
                           z3="6.40796"
                           zFract="0.28838704"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04416"
                           xFract="0.00523223"
                           y3="2.03809"
                           yFract="0.24147986"
                           z3="8.55886"
                           zFract="0.38518722"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13587"
                           xFract="0.25306517"
                           y3="6.33769"
                           yFract="0.75091114"
                           z3="6.37869"
                           zFract="0.28706976"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33243"
                           xFract="0.75028791"
                           y3="8.43204"
                           yFract="0.99905687"
                           z3="4.24242"
                           zFract="0.19092799"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25273"
                           xFract="0.74084479"
                           y3="4.2177"
                           yFract="0.49972749"
                           z3="8.54758"
                           zFract="0.38467957"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10801"
                           xFract="0.24976422"
                           y3="0.01279"
                           yFract="0.0015154"
                           z3="4.22443"
                           zFract="0.19011836"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18227"
                           xFract="0.49552962"
                           y3="6.33048"
                           yFract="0.75005687"
                           z3="8.67972"
                           zFract="0.39062646"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1282"
                           xFract="0.2521564"
                           y3="0.01286"
                           yFract="0.0015237"
                           z3="8.6461"
                           zFract="0.38911341"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02403"
                           xFract="0.00284716"
                           y3="2.07442"
                           yFract="0.24578436"
                           z3="4.23555"
                           zFract="0.19061881"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20396"
                           xFract="0.2611327"
                           y3="4.22623"
                           yFract="0.50073815"
                           z3="8.62885"
                           zFract="0.38833708"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05144"
                           xFract="0.00609479"
                           y3="6.42213"
                           yFract="0.76091588"
                           z3="8.52538"
                           zFract="0.38368047"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19759"
                           xFract="0.49734479"
                           y3="4.24606"
                           yFract="0.50308768"
                           z3="6.40428"
                           zFract="0.28822142"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21536"
                           xFract="0.49945024"
                           y3="2.08926"
                           yFract="0.24754265"
                           z3="4.23731"
                           zFract="0.19069802"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27171"
                           xFract="0.7430936"
                           y3="8.42749"
                           yFract="0.99851777"
                           z3="8.49605"
                           zFract="0.38236049"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34122"
                           xFract="0.75132938"
                           y3="2.09788"
                           yFract="0.24856398"
                           z3="6.39817"
                           zFract="0.28794644"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29567"
                           xFract="0.74593246"
                           y3="6.32656"
                           yFract="0.74959242"
                           z3="6.40954"
                           zFract="0.28845815"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02826"
                           xFract="0.00334834"
                           y3="4.19665"
                           yFract="0.49723341"
                           z3="6.20043"
                           zFract="0.27904725"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.1398"
                           xFract="0.25353081"
                           y3="4.2213"
                           yFract="0.50015403"
                           z3="4.23691"
                           zFract="0.19068002"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43869"
                           xFract="0.99984479"
                           y3="6.35739"
                           yFract="0.75324526"
                           z3="4.25367"
                           zFract="0.19143429"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02875"
                           xFract="0.0034064"
                           y3="2.13026"
                           yFract="0.25240047"
                           z3="6.52793"
                           zFract="0.29378623"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10035"
                           xFract="0.24885664"
                           y3="8.43299"
                           yFract="0.99916943"
                           z3="6.22376"
                           zFract="0.28009721"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37481"
                           xFract="0.99227607"
                           y3="8.36293"
                           yFract="0.99086848"
                           z3="4.32247"
                           zFract="0.1945306"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07006"
                           xFract="0.00830095"
                           y3="0.0179"
                           yFract="0.00212085"
                           z3="8.59452"
                           zFract="0.38679208"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09297"
                           xFract="0.24798223"
                           y3="2.19012"
                           yFract="0.25949289"
                           z3="4.31751"
                           zFract="0.19430738"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16058"
                           xFract="0.25599289"
                           y3="2.18422"
                           yFract="0.25879384"
                           z3="8.53515"
                           zFract="0.38412016"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20183"
                           xFract="0.49784716"
                           y3="2.08905"
                           yFract="0.24751777"
                           z3="6.40685"
                           zFract="0.28833708"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33466"
                           xFract="0.75055213"
                           y3="8.42751"
                           yFract="0.99852014"
                           z3="6.35909"
                           zFract="0.28618767"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27334"
                           xFract="0.50631991"
                           y3="8.42828"
                           yFract="0.99861137"
                           z3="4.22465"
                           zFract="0.19012826"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13243"
                           xFract="0.48962441"
                           y3="0.07164"
                           yFract="0.00848815"
                           z3="8.49049"
                           zFract="0.38211026"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.36675"
                           xFract="0.75435427"
                           y3="2.11429"
                           yFract="0.25050829"
                           z3="4.23094"
                           zFract="0.19041134"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26828"
                           xFract="0.7426872"
                           y3="2.06212"
                           yFract="0.24432701"
                           z3="8.59632"
                           zFract="0.38687309"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02448"
                           xFract="0.00290047"
                           y3="6.31461"
                           yFract="0.74817654"
                           z3="6.47127"
                           zFract="0.29123627"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06922"
                           xFract="0.24516825"
                           y3="4.23216"
                           yFract="0.50144076"
                           z3="6.34052"
                           zFract="0.28535194"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36758"
                           xFract="0.99141943"
                           y3="4.31826"
                           yFract="0.51164218"
                           z3="4.16955"
                           zFract="0.18764851"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.26863"
                           xFract="0.9796955"
                           y3="4.12547"
                           yFract="0.48879976"
                           z3="9.16869"
                           zFract="0.41263231"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14905"
                           xFract="0.25462678"
                           y3="6.26701"
                           yFract="0.74253673"
                           z3="4.21507"
                           zFract="0.18969712"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14229"
                           xFract="0.25382583"
                           y3="6.25727"
                           yFract="0.7413827"
                           z3="8.54207"
                           zFract="0.38443159"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20142"
                           xFract="0.49779858"
                           y3="6.34559"
                           yFract="0.75184716"
                           z3="6.24698"
                           zFract="0.28114221"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43183"
                           xFract="0.76206517"
                           y3="4.22069"
                           yFract="0.50008175"
                           z3="6.49301"
                           zFract="0.29221467"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30043"
                           xFract="0.50952962"
                           y3="4.22569"
                           yFract="0.50067417"
                           z3="4.2414"
                           zFract="0.19088209"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27158"
                           xFract="0.50611137"
                           y3="4.12938"
                           yFract="0.48926303"
                           z3="8.53922"
                           zFract="0.38430333"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27229"
                           xFract="0.74316232"
                           y3="6.31662"
                           yFract="0.74841469"
                           z3="4.21003"
                           zFract="0.1894703"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27856"
                           xFract="0.74390521"
                           y3="6.35458"
                           yFract="0.75291232"
                           z3="8.62701"
                           zFract="0.38825428"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02605"
                           xFract="0.00308649"
                           y3="4.24654"
                           yFract="0.50314455"
                           z3="10.11883"
                           zFract="0.45539289"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20027"
                           xFract="0.49766232"
                           y3="2.10149"
                           yFract="0.24899171"
                           z3="8.49356"
                           zFract="0.38224842"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17519"
                           xFract="0.49469076"
                           y3="8.41517"
                           yFract="0.99705806"
                           z3="6.39211"
                           zFract="0.28767372"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22437"
                           xFract="0.50051777"
                           y3="6.34373"
                           yFract="0.75162678"
                           z3="4.23619"
                           zFract="0.19064761"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32938"
                           xFract="0.74992654"
                           y3="4.22592"
                           yFract="0.50070142"
                           z3="4.19917"
                           zFract="0.18898155"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03089"
                           xFract="0.00365995"
                           y3="0.00149"
                           yFract="0.00017654"
                           z3="6.42312"
                           zFract="0.28906931"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11036"
                           xFract="0.25004265"
                           y3="2.10281"
                           yFract="0.2491481"
                           z3="6.40764"
                           zFract="0.28837264"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04424"
                           xFract="0.00524171"
                           y3="2.03825"
                           yFract="0.24149882"
                           z3="8.55831"
                           zFract="0.38516247"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13592"
                           xFract="0.25307109"
                           y3="6.33772"
                           yFract="0.75091469"
                           z3="6.37842"
                           zFract="0.28705761"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33217"
                           xFract="0.75025711"
                           y3="8.43207"
                           yFract="0.99906043"
                           z3="4.24233"
                           zFract="0.19092394"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25242"
                           xFract="0.74080806"
                           y3="4.21764"
                           yFract="0.49972038"
                           z3="8.54673"
                           zFract="0.38464131"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10824"
                           xFract="0.24979147"
                           y3="0.01283"
                           yFract="0.00152014"
                           z3="4.22429"
                           zFract="0.19011206"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18207"
                           xFract="0.49550592"
                           y3="6.33026"
                           yFract="0.75003081"
                           z3="8.6798"
                           zFract="0.39063006"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12785"
                           xFract="0.25211493"
                           y3="0.01293"
                           yFract="0.00153199"
                           z3="8.64603"
                           zFract="0.38911026"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02416"
                           xFract="0.00286256"
                           y3="2.07464"
                           yFract="0.24581043"
                           z3="4.23541"
                           zFract="0.19061251"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20406"
                           xFract="0.26114455"
                           y3="4.22604"
                           yFract="0.50071564"
                           z3="8.6286"
                           zFract="0.38832583"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05183"
                           xFract="0.006141"
                           y3="6.42158"
                           yFract="0.76085071"
                           z3="8.52491"
                           zFract="0.38365932"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19747"
                           xFract="0.49733057"
                           y3="4.24623"
                           yFract="0.50310782"
                           z3="6.40424"
                           zFract="0.28821962"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21543"
                           xFract="0.49945853"
                           y3="2.08918"
                           yFract="0.24753318"
                           z3="4.23736"
                           zFract="0.19070027"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.2722"
                           xFract="0.74315166"
                           y3="8.42778"
                           yFract="0.99855213"
                           z3="8.49602"
                           zFract="0.38235914"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34106"
                           xFract="0.75131043"
                           y3="2.09779"
                           yFract="0.24855332"
                           z3="6.39794"
                           zFract="0.28793609"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29545"
                           xFract="0.7459064"
                           y3="6.32676"
                           yFract="0.74961611"
                           z3="6.40931"
                           zFract="0.28844779"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02802"
                           xFract="0.00331991"
                           y3="4.19654"
                           yFract="0.49722038"
                           z3="6.20027"
                           zFract="0.27904005"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13976"
                           xFract="0.25352607"
                           y3="4.22127"
                           yFract="0.50015047"
                           z3="4.23692"
                           zFract="0.19068047"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43848"
                           xFract="0.99981991"
                           y3="6.35723"
                           yFract="0.7532263"
                           z3="4.25359"
                           zFract="0.19143069"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02857"
                           xFract="0.00338507"
                           y3="2.13018"
                           yFract="0.252391"
                           z3="6.52695"
                           zFract="0.29374212"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10035"
                           xFract="0.24885664"
                           y3="8.43292"
                           yFract="0.99916114"
                           z3="6.22378"
                           zFract="0.28009811"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37475"
                           xFract="0.99226896"
                           y3="8.36308"
                           yFract="0.99088626"
                           z3="4.32231"
                           zFract="0.1945234"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.06967"
                           xFract="0.00825474"
                           y3="0.01782"
                           yFract="0.00211137"
                           z3="8.59396"
                           zFract="0.38676688"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.09361"
                           xFract="0.24805806"
                           y3="2.18982"
                           yFract="0.25945735"
                           z3="4.31748"
                           zFract="0.19430603"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16047"
                           xFract="0.25597986"
                           y3="2.1832"
                           yFract="0.25867299"
                           z3="8.53503"
                           zFract="0.38411476"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20173"
                           xFract="0.49783531"
                           y3="2.08904"
                           yFract="0.24751659"
                           z3="6.40672"
                           zFract="0.28833123"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33465"
                           xFract="0.75055095"
                           y3="8.42738"
                           yFract="0.99850474"
                           z3="6.3594"
                           zFract="0.28620162"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27341"
                           xFract="0.5063282"
                           y3="8.42789"
                           yFract="0.99856517"
                           z3="4.22492"
                           zFract="0.19014041"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13279"
                           xFract="0.48966706"
                           y3="0.07182"
                           yFract="0.00850948"
                           z3="8.49068"
                           zFract="0.38211881"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.36616"
                           xFract="0.75428436"
                           y3="2.11417"
                           yFract="0.25049408"
                           z3="4.23066"
                           zFract="0.19039874"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26851"
                           xFract="0.74271445"
                           y3="2.0622"
                           yFract="0.24433649"
                           z3="8.59621"
                           zFract="0.38686814"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02433"
                           xFract="0.0028827"
                           y3="6.31475"
                           yFract="0.74819313"
                           z3="6.47085"
                           zFract="0.29121737"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06923"
                           xFract="0.24516943"
                           y3="4.23222"
                           yFract="0.50144787"
                           z3="6.34002"
                           zFract="0.28532943"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3678"
                           xFract="0.9914455"
                           y3="4.31799"
                           yFract="0.51161019"
                           z3="4.16995"
                           zFract="0.18766652"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.27018"
                           xFract="0.97987915"
                           y3="4.12652"
                           yFract="0.48892417"
                           z3="9.16671"
                           zFract="0.4125432"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14945"
                           xFract="0.25467417"
                           y3="6.26726"
                           yFract="0.74256635"
                           z3="4.21492"
                           zFract="0.18969037"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14223"
                           xFract="0.25381872"
                           y3="6.25821"
                           yFract="0.74149408"
                           z3="8.54193"
                           zFract="0.38442529"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20128"
                           xFract="0.49778199"
                           y3="6.34565"
                           yFract="0.75185427"
                           z3="6.24681"
                           zFract="0.28113456"/>
                     <atom elementType="O"
                           id="a74"
                           x3="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="4.22071"
                           yFract="0.50008412"
                           z3="6.49248"
                           zFract="0.29219082"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30014"
                           xFract="0.50949526"
                           y3="4.22615"
                           yFract="0.50072867"
                           z3="4.24137"
                           zFract="0.19088074"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27192"
                           xFract="0.50615166"
                           y3="4.12927"
                           yFract="0.48925"
                           z3="8.53913"
                           zFract="0.38429928"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2722"
                           xFract="0.74315166"
                           y3="6.31667"
                           yFract="0.74842062"
                           z3="4.20974"
                           zFract="0.18945725"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27827"
                           xFract="0.74387085"
                           y3="6.35451"
                           yFract="0.75290403"
                           z3="8.62675"
                           zFract="0.38824257"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.02212"
                           xFract="0.00262085"
                           y3="4.2454"
                           yFract="0.50300948"
                           z3="10.12563"
                           zFract="0.45569892"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20089"
                           xFract="0.49773578"
                           y3="2.10083"
                           yFract="0.24891351"
                           z3="8.49545"
                           zFract="0.38233348"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17539"
                           xFract="0.49471445"
                           y3="8.41647"
                           yFract="0.99721209"
                           z3="6.39187"
                           zFract="0.28766292"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22479"
                           xFract="0.50056754"
                           y3="6.34339"
                           yFract="0.75158649"
                           z3="4.23651"
                           zFract="0.19066202"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32976"
                           xFract="0.74997156"
                           y3="4.22554"
                           yFract="0.5006564"
                           z3="4.19933"
                           zFract="0.18898875"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.0311"
                           xFract="0.00368483"
                           y3="0.00175"
                           yFract="0.00020735"
                           z3="6.42412"
                           zFract="0.28911431"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11069"
                           xFract="0.25008175"
                           y3="2.10316"
                           yFract="0.24918957"
                           z3="6.40937"
                           zFract="0.2884505"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04366"
                           xFract="0.00517299"
                           y3="2.03846"
                           yFract="0.2415237"
                           z3="8.55869"
                           zFract="0.38517957"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13632"
                           xFract="0.25311848"
                           y3="6.33762"
                           yFract="0.75090284"
                           z3="6.38023"
                           zFract="0.28713906"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33279"
                           xFract="0.75033057"
                           y3="8.43211"
                           yFract="0.99906517"
                           z3="4.2424"
                           zFract="0.19092709"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25331"
                           xFract="0.74091351"
                           y3="4.21821"
                           yFract="0.49978791"
                           z3="8.54939"
                           zFract="0.38476103"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10709"
                           xFract="0.24965521"
                           y3="0.01279"
                           yFract="0.0015154"
                           z3="4.22432"
                           zFract="0.19011341"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18236"
                           xFract="0.49554028"
                           y3="6.33109"
                           yFract="0.75012915"
                           z3="8.68002"
                           zFract="0.39063996"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12904"
                           xFract="0.25225592"
                           y3="0.01212"
                           yFract="0.00143602"
                           z3="8.64629"
                           zFract="0.38912196"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0235"
                           xFract="0.00278436"
                           y3="2.0737"
                           yFract="0.24569905"
                           z3="4.23553"
                           zFract="0.19061791"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20412"
                           xFract="0.26115166"
                           y3="4.22666"
                           yFract="0.5007891"
                           z3="8.62959"
                           zFract="0.38837039"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.05049"
                           xFract="0.00598223"
                           y3="6.42405"
                           yFract="0.76114336"
                           z3="8.52679"
                           zFract="0.38374392"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19757"
                           xFract="0.49734242"
                           y3="4.24599"
                           yFract="0.50307938"
                           z3="6.40469"
                           zFract="0.28823987"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21522"
                           xFract="0.49943365"
                           y3="2.08938"
                           yFract="0.24755687"
                           z3="4.23706"
                           zFract="0.19068677"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.27054"
                           xFract="0.74295498"
                           y3="8.42695"
                           yFract="0.99845379"
                           z3="8.49699"
                           zFract="0.38240279"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34148"
                           xFract="0.75136019"
                           y3="2.09788"
                           yFract="0.24856398"
                           z3="6.39897"
                           zFract="0.28798245"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29566"
                           xFract="0.74593128"
                           y3="6.32665"
                           yFract="0.74960308"
                           z3="6.41059"
                           zFract="0.2885054"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02935"
                           xFract="0.00347749"
                           y3="4.19667"
                           yFract="0.49723578"
                           z3="6.20041"
                           zFract="0.27904635"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13938"
                           xFract="0.25348104"
                           y3="4.2215"
                           yFract="0.50017773"
                           z3="4.23674"
                           zFract="0.19067237"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="8.43895"
                           xFract="0.99987559"
                           y3="6.35766"
                           yFract="0.75327725"
                           z3="4.25326"
                           zFract="0.19141584"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02869"
                           xFract="0.00339929"
                           y3="2.12963"
                           yFract="0.25232583"
                           z3="6.53018"
                           zFract="0.29388749"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10013"
                           xFract="0.24883057"
                           y3="8.43346"
                           yFract="0.99922512"
                           z3="6.22345"
                           zFract="0.28008326"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37513"
                           xFract="0.99231398"
                           y3="8.36382"
                           yFract="0.99097393"
                           z3="4.32231"
                           zFract="0.1945234"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07069"
                           xFract="0.00837559"
                           y3="0.01746"
                           yFract="0.00206872"
                           z3="8.59611"
                           zFract="0.38686364"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.0919"
                           xFract="0.24785545"
                           y3="2.18995"
                           yFract="0.25947275"
                           z3="4.31764"
                           zFract="0.19431323"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16043"
                           xFract="0.25597512"
                           y3="2.18569"
                           yFract="0.25896801"
                           z3="8.53547"
                           zFract="0.38413456"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2025"
                           xFract="0.49792654"
                           y3="2.0890"
                           yFract="0.24751185"
                           z3="6.40788"
                           zFract="0.28838344"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33502"
                           xFract="0.75059479"
                           y3="8.42804"
                           yFract="0.99858294"
                           z3="6.3593"
                           zFract="0.28619712"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27369"
                           xFract="0.50636137"
                           y3="8.42867"
                           yFract="0.99865758"
                           z3="4.22398"
                           zFract="0.19009811"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13255"
                           xFract="0.48963863"
                           y3="0.07165"
                           yFract="0.00848934"
                           z3="8.48934"
                           zFract="0.38205851"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3678"
                           xFract="0.75447867"
                           y3="2.11466"
                           yFract="0.25055213"
                           z3="4.23173"
                           zFract="0.19044689"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26853"
                           xFract="0.74271682"
                           y3="2.06239"
                           yFract="0.244359"
                           z3="8.59697"
                           zFract="0.38690234"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02447"
                           xFract="0.00289929"
                           y3="6.31488"
                           yFract="0.74820853"
                           z3="6.47211"
                           zFract="0.29127408"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.06961"
                           xFract="0.24521445"
                           y3="4.23188"
                           yFract="0.50140758"
                           z3="6.34109"
                           zFract="0.28537759"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36739"
                           xFract="0.99139692"
                           y3="4.31779"
                           yFract="0.51158649"
                           z3="4.16707"
                           zFract="0.1875369"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.26602"
                           xFract="0.97938626"
                           y3="4.12338"
                           yFract="0.48855213"
                           z3="9.17538"
                           zFract="0.41293339"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14854"
                           xFract="0.25456635"
                           y3="6.26722"
                           yFract="0.74256161"
                           z3="4.21541"
                           zFract="0.18971242"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14344"
                           xFract="0.25396209"
                           y3="6.2559"
                           yFract="0.74122038"
                           z3="8.54233"
                           zFract="0.38444329"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2022"
                           xFract="0.497891"
                           y3="6.34555"
                           yFract="0.75184242"
                           z3="6.24739"
                           zFract="0.28116067"/>
                     <atom elementType="O"
                           id="a74"
                           x3="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="4.22069"
                           yFract="0.50008175"
                           z3="6.49402"
                           zFract="0.29226013"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30079"
                           xFract="0.50957227"
                           y3="4.22485"
                           yFract="0.50057464"
                           z3="4.2412"
                           zFract="0.19087309"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27111"
                           xFract="0.50605569"
                           y3="4.12999"
                           yFract="0.48933531"
                           z3="8.53977"
                           zFract="0.38432808"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27212"
                           xFract="0.74314218"
                           y3="6.31651"
                           yFract="0.74840166"
                           z3="4.21132"
                           zFract="0.18952835"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.27889"
                           xFract="0.74394431"
                           y3="6.35354"
                           yFract="0.7527891"
                           z3="8.6276"
                           zFract="0.38828083"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a41" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a29 a51" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a47" order="S"/>
                     <bond atomRefs2="a41 a80" order="S"/>
                     <bond atomRefs2="a41 a67" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.01032"
                           xFract="0.00122275"
                           y3="4.24198"
                           yFract="0.50260427"
                           z3="10.14603"
                           zFract="0.45661701"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20276"
                           xFract="0.49795735"
                           y3="2.09886"
                           yFract="0.24868009"
                           z3="8.50112"
                           zFract="0.38258866"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17599"
                           xFract="0.49478555"
                           y3="8.42036"
                           yFract="0.99767299"
                           z3="6.39114"
                           zFract="0.28763006"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22604"
                           xFract="0.50071564"
                           y3="6.34237"
                           yFract="0.75146564"
                           z3="4.23749"
                           zFract="0.19070612"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33088"
                           xFract="0.75010427"
                           y3="4.22441"
                           yFract="0.50052251"
                           z3="4.19982"
                           zFract="0.1890108"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.0317"
                           xFract="0.00375592"
                           y3="0.00253"
                           yFract="0.00029976"
                           z3="6.42714"
                           zFract="0.28925023"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1117"
                           xFract="0.25020142"
                           y3="2.10422"
                           yFract="0.24931517"
                           z3="6.41455"
                           zFract="0.28868362"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0419"
                           xFract="0.00496445"
                           y3="2.03908"
                           yFract="0.24159716"
                           z3="8.55984"
                           zFract="0.38523132"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13752"
                           xFract="0.25326066"
                           y3="6.33729"
                           yFract="0.75086374"
                           z3="6.38568"
                           zFract="0.28738434"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33462"
                           xFract="0.75054739"
                           y3="8.43223"
                           yFract="0.99907938"
                           z3="4.24261"
                           zFract="0.19093654"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25599"
                           xFract="0.74123104"
                           y3="4.21993"
                           yFract="0.49999171"
                           z3="8.55736"
                           zFract="0.38511971"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10366"
                           xFract="0.24924882"
                           y3="0.01266"
                           yFract="0.0015"
                           z3="4.22439"
                           zFract="0.19011656"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18323"
                           xFract="0.49564336"
                           y3="6.33361"
                           yFract="0.75042773"
                           z3="8.68067"
                           zFract="0.39066922"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13263"
                           xFract="0.25268128"
                           y3="0.00969"
                           yFract="0.0011481"
                           z3="8.64708"
                           zFract="0.38915752"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02151"
                           xFract="0.00254858"
                           y3="2.07085"
                           yFract="0.24536137"
                           z3="4.23589"
                           zFract="0.19063411"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.2043"
                           xFract="0.26117299"
                           y3="4.22853"
                           yFract="0.50101066"
                           z3="8.63253"
                           zFract="0.3885027"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04648"
                           xFract="0.00550711"
                           y3="6.43147"
                           yFract="0.76202251"
                           z3="8.53242"
                           zFract="0.3839973"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19787"
                           xFract="0.49737796"
                           y3="4.24524"
                           yFract="0.50299052"
                           z3="6.40602"
                           zFract="0.28829973"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21459"
                           xFract="0.499359"
                           y3="2.08996"
                           yFract="0.24762559"
                           z3="4.23614"
                           zFract="0.19064536"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26557"
                           xFract="0.74236611"
                           y3="8.42445"
                           yFract="0.99815758"
                           z3="8.49992"
                           zFract="0.38253465"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34275"
                           xFract="0.75151066"
                           y3="2.09817"
                           yFract="0.24859834"
                           z3="6.40206"
                           zFract="0.28812151"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29629"
                           xFract="0.74600592"
                           y3="6.32633"
                           yFract="0.74956517"
                           z3="6.41444"
                           zFract="0.28867867"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03334"
                           xFract="0.00395024"
                           y3="4.19706"
                           yFract="0.49728199"
                           z3="6.20083"
                           zFract="0.27906526"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13827"
                           xFract="0.25334953"
                           y3="4.22217"
                           yFract="0.50025711"
                           z3="4.2362"
                           zFract="0.19064806"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="0.00036"
                           xFract="0.00004265"
                           y3="6.35894"
                           yFract="0.75342891"
                           z3="4.25226"
                           zFract="0.19137084"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02904"
                           xFract="0.00344076"
                           y3="2.12797"
                           yFract="0.25212915"
                           z3="6.53988"
                           zFract="0.29432403"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.0995"
                           xFract="0.24875592"
                           y3="8.4351"
                           yFract="0.99941943"
                           z3="6.22244"
                           zFract="0.2800378"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37626"
                           xFract="0.99244787"
                           y3="8.36606"
                           yFract="0.99123934"
                           z3="4.32233"
                           zFract="0.1945243"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07374"
                           xFract="0.00873697"
                           y3="0.01637"
                           yFract="0.00193957"
                           z3="8.60255"
                           zFract="0.38715347"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08678"
                           xFract="0.24724882"
                           y3="2.19032"
                           yFract="0.25951659"
                           z3="4.31812"
                           zFract="0.19433483"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16032"
                           xFract="0.25596209"
                           y3="2.19315"
                           yFract="0.2598519"
                           z3="8.53679"
                           zFract="0.38419397"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20483"
                           xFract="0.49820261"
                           y3="2.08889"
                           yFract="0.24749882"
                           z3="6.41137"
                           zFract="0.2885405"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33612"
                           xFract="0.75072512"
                           y3="8.43001"
                           yFract="0.99881635"
                           z3="6.35899"
                           zFract="0.28618317"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27452"
                           xFract="0.50645972"
                           y3="8.43102"
                           yFract="0.99893602"
                           z3="4.22118"
                           zFract="0.1899721"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13181"
                           xFract="0.48955095"
                           y3="0.07113"
                           yFract="0.00842773"
                           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="6.37272"
                           xFract="0.75506161"
                           y3="2.11612"
                           yFract="0.25072512"
                           z3="4.23493"
                           zFract="0.19059091"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.2686"
                           xFract="0.74272512"
                           y3="2.06297"
                           yFract="0.24442773"
                           z3="8.59926"
                           zFract="0.3870054"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0249"
                           xFract="0.00295024"
                           y3="6.31526"
                           yFract="0.74825355"
                           z3="6.47588"
                           zFract="0.29144374"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07076"
                           xFract="0.24535071"
                           y3="4.23086"
                           yFract="0.50128673"
                           z3="6.3443"
                           zFract="0.28552205"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36617"
                           xFract="0.99125237"
                           y3="4.31721"
                           yFract="0.51151777"
                           z3="4.15844"
                           zFract="0.18714851"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.25356"
                           xFract="0.97790995"
                           y3="4.11395"
                           yFract="0.48743483"
                           z3="9.20141"
                           zFract="0.41410486"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14579"
                           xFract="0.25424052"
                           y3="6.26709"
                           yFract="0.74254621"
                           z3="4.21687"
                           zFract="0.18977813"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14706"
                           xFract="0.254391"
                           y3="6.2490"
                           yFract="0.74040284"
                           z3="8.54355"
                           zFract="0.3844982"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20494"
                           xFract="0.49821564"
                           y3="6.34525"
                           yFract="0.75180687"
                           z3="6.24912"
                           zFract="0.28123852"/>
                     <atom elementType="O"
                           id="a74"
                           x3="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="4.22063"
                           yFract="0.50007464"
                           z3="6.49866"
                           zFract="0.29246895"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30275"
                           xFract="0.5098045"
                           y3="4.22094"
                           yFract="0.50011137"
                           z3="4.24068"
                           zFract="0.19084968"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26871"
                           xFract="0.50577133"
                           y3="4.13214"
                           yFract="0.48959005"
                           z3="8.5417"
                           zFract="0.38441494"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27188"
                           xFract="0.74311374"
                           y3="6.31603"
                           yFract="0.74834479"
                           z3="4.21606"
                           zFract="0.18974167"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28076"
                           xFract="0.74416588"
                           y3="6.35063"
                           yFract="0.75244431"
                           z3="8.63015"
                           zFract="0.38839559"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.01367"
                           xFract="0.00161967"
                           y3="4.24295"
                           yFract="0.50271919"
                           z3="10.14024"
                           zFract="0.45635644"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20223"
                           xFract="0.49789455"
                           y3="2.09942"
                           yFract="0.24874645"
                           z3="8.49951"
                           zFract="0.3825162"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17582"
                           xFract="0.4947654"
                           y3="8.41926"
                           yFract="0.99754265"
                           z3="6.39134"
                           zFract="0.28763906"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22568"
                           xFract="0.50067299"
                           y3="6.34266"
                           yFract="0.7515"
                           z3="4.23721"
                           zFract="0.19069352"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33056"
                           xFract="0.75006635"
                           y3="4.22474"
                           yFract="0.50056161"
                           z3="4.19968"
                           zFract="0.1890045"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03153"
                           xFract="0.00373578"
                           y3="0.00231"
                           yFract="0.0002737"
                           z3="6.42628"
                           zFract="0.28921152"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11142"
                           xFract="0.25016825"
                           y3="2.10392"
                           yFract="0.24927962"
                           z3="6.41307"
                           zFract="0.28861701"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0424"
                           xFract="0.0050237"
                           y3="2.03891"
                           yFract="0.24157701"
                           z3="8.55951"
                           zFract="0.38521647"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13718"
                           xFract="0.25322038"
                           y3="6.33738"
                           yFract="0.75087441"
                           z3="6.38413"
                           zFract="0.28731458"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3341"
                           xFract="0.75048578"
                           y3="8.4322"
                           yFract="0.99907583"
                           z3="4.24255"
                           zFract="0.19093384"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25523"
                           xFract="0.741141"
                           y3="4.21945"
                           yFract="0.49993483"
                           z3="8.5551"
                           zFract="0.385018"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10463"
                           xFract="0.24936374"
                           y3="0.01269"
                           yFract="0.00150355"
                           z3="4.22437"
                           zFract="0.19011566"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18298"
                           xFract="0.49561374"
                           y3="6.33289"
                           yFract="0.75034242"
                           z3="8.68049"
                           zFract="0.39066112"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13161"
                           xFract="0.25256043"
                           y3="0.01038"
                           yFract="0.00122986"
                           z3="8.64685"
                           zFract="0.38914716"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02208"
                           xFract="0.00261611"
                           y3="2.07166"
                           yFract="0.24545735"
                           z3="4.23579"
                           zFract="0.19062961"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20425"
                           xFract="0.26116706"
                           y3="4.2280"
                           yFract="0.50094787"
                           z3="8.6317"
                           zFract="0.38846535"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04762"
                           xFract="0.00564218"
                           y3="6.42936"
                           yFract="0.76177251"
                           z3="8.53082"
                           zFract="0.38392529"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19779"
                           xFract="0.49736848"
                           y3="4.24545"
                           yFract="0.5030154"
                           z3="6.40564"
                           zFract="0.28828263"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21477"
                           xFract="0.49938033"
                           y3="2.08979"
                           yFract="0.24760545"
                           z3="4.2364"
                           zFract="0.19065707"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26698"
                           xFract="0.74253318"
                           y3="8.42516"
                           yFract="0.99824171"
                           z3="8.49909"
                           zFract="0.3824973"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34239"
                           xFract="0.75146801"
                           y3="2.09809"
                           yFract="0.24858886"
                           z3="6.40118"
                           zFract="0.28808191"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29611"
                           xFract="0.7459846"
                           y3="6.32642"
                           yFract="0.74957583"
                           z3="6.41335"
                           zFract="0.28862961"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03221"
                           xFract="0.00381635"
                           y3="4.19695"
                           yFract="0.49726896"
                           z3="6.20071"
                           zFract="0.27905986"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13858"
                           xFract="0.25338626"
                           y3="4.22198"
                           yFract="0.5002346"
                           z3="4.23635"
                           zFract="0.19065482"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00004"
                           xFract="-0.00000474"
                           y3="6.35857"
                           yFract="0.75338507"
                           z3="4.25254"
                           zFract="0.19138344"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02894"
                           xFract="0.00342891"
                           y3="2.12844"
                           yFract="0.25218483"
                           z3="6.53713"
                           zFract="0.29420027"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09968"
                           xFract="0.24877725"
                           y3="8.43463"
                           yFract="0.99936374"
                           z3="6.22273"
                           zFract="0.28005086"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37594"
                           xFract="0.99240995"
                           y3="8.36542"
                           yFract="0.99116351"
                           z3="4.32233"
                           zFract="0.1945243"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07287"
                           xFract="0.00863389"
                           y3="0.01668"
                           yFract="0.0019763"
                           z3="8.60072"
                           zFract="0.38707111"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08824"
                           xFract="0.2474218"
                           y3="2.19021"
                           yFract="0.25950355"
                           z3="4.31798"
                           zFract="0.19432853"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16035"
                           xFract="0.25596564"
                           y3="2.19103"
                           yFract="0.25960071"
                           z3="8.53642"
                           zFract="0.38417732"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20417"
                           xFract="0.49812441"
                           y3="2.08892"
                           yFract="0.24750237"
                           z3="6.41038"
                           zFract="0.28849595"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33581"
                           xFract="0.75068839"
                           y3="8.42945"
                           yFract="0.99875"
                           z3="6.35908"
                           zFract="0.28618722"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27428"
                           xFract="0.50643128"
                           y3="8.43035"
                           yFract="0.99885664"
                           z3="4.22198"
                           zFract="0.1900081"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13202"
                           xFract="0.48957583"
                           y3="0.07128"
                           yFract="0.0084455"
                           z3="8.48646"
                           zFract="0.38192889"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37132"
                           xFract="0.75489573"
                           y3="2.11571"
                           yFract="0.25067654"
                           z3="4.23402"
                           zFract="0.19054995"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26858"
                           xFract="0.74272275"
                           y3="2.0628"
                           yFract="0.24440758"
                           z3="8.59861"
                           zFract="0.38697615"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02478"
                           xFract="0.00293602"
                           y3="6.31515"
                           yFract="0.74824052"
                           z3="6.47481"
                           zFract="0.29139559"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07044"
                           xFract="0.2453128"
                           y3="4.23115"
                           yFract="0.50132109"
                           z3="6.34339"
                           zFract="0.2854811"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36652"
                           xFract="0.99129384"
                           y3="4.31738"
                           yFract="0.51153791"
                           z3="4.16089"
                           zFract="0.18725878"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.2571"
                           xFract="0.97832938"
                           y3="4.11663"
                           yFract="0.48775237"
                           z3="9.19401"
                           zFract="0.41377183"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14657"
                           xFract="0.25433294"
                           y3="6.26713"
                           yFract="0.74255095"
                           z3="4.21646"
                           zFract="0.18975968"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14603"
                           xFract="0.25426896"
                           y3="6.25096"
                           yFract="0.74063507"
                           z3="8.54321"
                           zFract="0.3844829"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20416"
                           xFract="0.49812322"
                           y3="6.34534"
                           yFract="0.75181754"
                           z3="6.24863"
                           zFract="0.28121647"/>
                     <atom elementType="O"
                           id="a74"
                           x3="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="4.22065"
                           yFract="0.50007701"
                           z3="6.49734"
                           zFract="0.29240954"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30219"
                           xFract="0.50973815"
                           y3="4.22205"
                           yFract="0.50024289"
                           z3="4.24083"
                           zFract="0.19085644"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26939"
                           xFract="0.5058519"
                           y3="4.13153"
                           yFract="0.48951777"
                           z3="8.54115"
                           zFract="0.38439019"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27195"
                           xFract="0.74312204"
                           y3="6.31617"
                           yFract="0.74836137"
                           z3="4.21471"
                           zFract="0.18968092"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28023"
                           xFract="0.74410308"
                           y3="6.35145"
                           yFract="0.75254147"
                           z3="8.62943"
                           zFract="0.38836319"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.0097"
                           xFract="0.00114929"
                           y3="4.24158"
                           yFract="0.50255687"
                           z3="10.14546"
                           zFract="0.45659136"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20183"
                           xFract="0.49784716"
                           y3="2.09951"
                           yFract="0.24875711"
                           z3="8.50137"
                           zFract="0.38259991"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17629"
                           xFract="0.49482109"
                           y3="8.42017"
                           yFract="0.99765047"
                           z3="6.39018"
                           zFract="0.28758686"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2256"
                           xFract="0.50066351"
                           y3="6.34259"
                           yFract="0.75149171"
                           z3="4.2373"
                           zFract="0.19069757"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33075"
                           xFract="0.75008886"
                           y3="4.22457"
                           yFract="0.50054147"
                           z3="4.19947"
                           zFract="0.18899505"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03214"
                           xFract="0.00380806"
                           y3="0.00262"
                           yFract="0.00031043"
                           z3="6.42671"
                           zFract="0.28923087"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11169"
                           xFract="0.25020024"
                           y3="2.10427"
                           yFract="0.24932109"
                           z3="6.41479"
                           zFract="0.28869442"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04171"
                           xFract="0.00494194"
                           y3="2.03996"
                           yFract="0.24170142"
                           z3="8.56129"
                           zFract="0.38529658"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13818"
                           xFract="0.25333886"
                           y3="6.33752"
                           yFract="0.750891"
                           z3="6.38611"
                           zFract="0.28740369"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33383"
                           xFract="0.75045379"
                           y3="8.43232"
                           yFract="0.99909005"
                           z3="4.24257"
                           zFract="0.19093474"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25443"
                           xFract="0.74104621"
                           y3="4.21964"
                           yFract="0.49995735"
                           z3="8.5572"
                           zFract="0.38511251"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10426"
                           xFract="0.24931991"
                           y3="0.01288"
                           yFract="0.00152607"
                           z3="4.22393"
                           zFract="0.19009586"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18287"
                           xFract="0.49560071"
                           y3="6.33278"
                           yFract="0.75032938"
                           z3="8.68126"
                           zFract="0.39069577"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1317"
                           xFract="0.25257109"
                           y3="0.00965"
                           yFract="0.00114336"
                           z3="8.64732"
                           zFract="0.38916832"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02169"
                           xFract="0.00256991"
                           y3="2.07149"
                           yFract="0.2454372"
                           z3="4.23595"
                           zFract="0.19063681"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20376"
                           xFract="0.261109"
                           y3="4.22794"
                           yFract="0.50094076"
                           z3="8.63325"
                           zFract="0.3885351"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04721"
                           xFract="0.0055936"
                           y3="6.43073"
                           yFract="0.76193483"
                           z3="8.53288"
                           zFract="0.384018"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19822"
                           xFract="0.49741943"
                           y3="4.24552"
                           yFract="0.5030237"
                           z3="6.40673"
                           zFract="0.28833168"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21451"
                           xFract="0.49934953"
                           y3="2.08965"
                           yFract="0.24758886"
                           z3="4.23628"
                           zFract="0.19065167"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26608"
                           xFract="0.74242654"
                           y3="8.42551"
                           yFract="0.99828318"
                           z3="8.50042"
                           zFract="0.38255716"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34273"
                           xFract="0.75150829"
                           y3="2.0985"
                           yFract="0.24863744"
                           z3="6.40277"
                           zFract="0.28815347"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29604"
                           xFract="0.7459763"
                           y3="6.32671"
                           yFract="0.74961019"
                           z3="6.4145"
                           zFract="0.28868137"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03241"
                           xFract="0.00384005"
                           y3="4.19671"
                           yFract="0.49724052"
                           z3="6.19941"
                           zFract="0.27900135"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13784"
                           xFract="0.25329858"
                           y3="4.22207"
                           yFract="0.50024526"
                           z3="4.23631"
                           zFract="0.19065302"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00026"
                           xFract="-0.00003081"
                           y3="6.35829"
                           yFract="0.7533519"
                           z3="4.25217"
                           zFract="0.19136679"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02884"
                           xFract="0.00341706"
                           y3="2.12828"
                           yFract="0.25216588"
                           z3="6.53858"
                           zFract="0.29426553"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09956"
                           xFract="0.24876303"
                           y3="8.43493"
                           yFract="0.99939929"
                           z3="6.22283"
                           zFract="0.28005536"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37609"
                           xFract="0.99242773"
                           y3="8.36657"
                           yFract="0.99129976"
                           z3="4.32217"
                           zFract="0.1945171"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07383"
                           xFract="0.00874763"
                           y3="0.01689"
                           yFract="0.00200118"
                           z3="8.60294"
                           zFract="0.38717102"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.0871"
                           xFract="0.24728673"
                           y3="2.1898"
                           yFract="0.25945498"
                           z3="4.31867"
                           zFract="0.19435959"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16078"
                           xFract="0.25601659"
                           y3="2.19185"
                           yFract="0.25969787"
                           z3="8.53745"
                           zFract="0.38422367"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20463"
                           xFract="0.49817891"
                           y3="2.08897"
                           yFract="0.24750829"
                           z3="6.41174"
                           zFract="0.28855716"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.3365"
                           xFract="0.75077014"
                           y3="8.42962"
                           yFract="0.99877014"
                           z3="6.36068"
                           zFract="0.28625923"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27484"
                           xFract="0.50649763"
                           y3="8.43048"
                           yFract="0.99887204"
                           z3="4.22184"
                           zFract="0.1900018"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13292"
                           xFract="0.48968246"
                           y3="0.07142"
                           yFract="0.00846209"
                           z3="8.48564"
                           zFract="0.38189199"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37239"
                           xFract="0.75502251"
                           y3="2.11585"
                           yFract="0.25069313"
                           z3="4.23474"
                           zFract="0.19058236"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26842"
                           xFract="0.74270379"
                           y3="2.06188"
                           yFract="0.24429858"
                           z3="8.59997"
                           zFract="0.38703735"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0248"
                           xFract="0.00293839"
                           y3="6.31558"
                           yFract="0.74829147"
                           z3="6.47595"
                           zFract="0.29144689"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07095"
                           xFract="0.24537322"
                           y3="4.2310"
                           yFract="0.50130332"
                           z3="6.34294"
                           zFract="0.28546085"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36689"
                           xFract="0.99133768"
                           y3="4.31641"
                           yFract="0.51142299"
                           z3="4.16077"
                           zFract="0.18725338"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.25337"
                           xFract="0.97788744"
                           y3="4.11335"
                           yFract="0.48736374"
                           z3="9.19631"
                           zFract="0.41387534"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14681"
                           xFract="0.25436137"
                           y3="6.26757"
                           yFract="0.74260308"
                           z3="4.21698"
                           zFract="0.18978308"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14684"
                           xFract="0.25436493"
                           y3="6.25018"
                           yFract="0.74054265"
                           z3="8.54376"
                           zFract="0.38450765"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20462"
                           xFract="0.49817773"
                           y3="6.34575"
                           yFract="0.75186611"
                           z3="6.2490"
                           zFract="0.28123312"/>
                     <atom elementType="O"
                           id="a74"
                           x3="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="4.22058"
                           yFract="0.50006872"
                           z3="6.49851"
                           zFract="0.2924622"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30218"
                           xFract="0.50973697"
                           y3="4.22138"
                           yFract="0.50016351"
                           z3="4.24089"
                           zFract="0.19085914"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27107"
                           xFract="0.50605095"
                           y3="4.13192"
                           yFract="0.48956398"
                           z3="8.5423"
                           zFract="0.38444194"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27209"
                           xFract="0.74313863"
                           y3="6.31613"
                           yFract="0.74835664"
                           z3="4.21607"
                           zFract="0.18974212"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28052"
                           xFract="0.74413744"
                           y3="6.35075"
                           yFract="0.75245853"
                           z3="8.63062"
                           zFract="0.38841674"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.00481"
                           xFract="0.00056991"
                           y3="4.23989"
                           yFract="0.50235664"
                           z3="10.15191"
                           zFract="0.45688164"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20135"
                           xFract="0.49779028"
                           y3="2.09962"
                           yFract="0.24877014"
                           z3="8.50367"
                           zFract="0.38270342"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17688"
                           xFract="0.494891"
                           y3="8.42129"
                           yFract="0.99778318"
                           z3="6.38874"
                           zFract="0.28752205"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2255"
                           xFract="0.50065166"
                           y3="6.3425"
                           yFract="0.75148104"
                           z3="4.23742"
                           zFract="0.19070297"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33099"
                           xFract="0.7501173"
                           y3="4.22437"
                           yFract="0.50051777"
                           z3="4.19921"
                           zFract="0.18898335"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03289"
                           xFract="0.00389692"
                           y3="0.00299"
                           yFract="0.00035427"
                           z3="6.42723"
                           zFract="0.28925428"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11203"
                           xFract="0.25024052"
                           y3="2.1047"
                           yFract="0.24937204"
                           z3="6.41691"
                           zFract="0.28878983"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04086"
                           xFract="0.00484123"
                           y3="2.04126"
                           yFract="0.24185545"
                           z3="8.56348"
                           zFract="0.38539514"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13942"
                           xFract="0.25348578"
                           y3="6.33768"
                           yFract="0.75090995"
                           z3="6.38855"
                           zFract="0.2875135"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33351"
                           xFract="0.75041588"
                           y3="8.43247"
                           yFract="0.99910782"
                           z3="4.24259"
                           zFract="0.19093564"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25344"
                           xFract="0.74092891"
                           y3="4.21989"
                           yFract="0.49998697"
                           z3="8.55979"
                           zFract="0.38522907"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10379"
                           xFract="0.24926422"
                           y3="0.01312"
                           yFract="0.0015545"
                           z3="4.22339"
                           zFract="0.19007156"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18273"
                           xFract="0.49558412"
                           y3="6.33263"
                           yFract="0.75031161"
                           z3="8.68223"
                           zFract="0.39073942"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1318"
                           xFract="0.25258294"
                           y3="0.00875"
                           yFract="0.00103673"
                           z3="8.64789"
                           zFract="0.38919397"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0212"
                           xFract="0.00251185"
                           y3="2.07128"
                           yFract="0.24541232"
                           z3="4.23615"
                           zFract="0.19064581"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20315"
                           xFract="0.26103673"
                           y3="4.22786"
                           yFract="0.50093128"
                           z3="8.63516"
                           zFract="0.38862106"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0467"
                           xFract="0.00553318"
                           y3="6.43243"
                           yFract="0.76213626"
                           z3="8.53542"
                           zFract="0.38413231"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19874"
                           xFract="0.49748104"
                           y3="4.24561"
                           yFract="0.50303436"
                           z3="6.40807"
                           zFract="0.28839199"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21419"
                           xFract="0.49931161"
                           y3="2.08946"
                           yFract="0.24756635"
                           z3="4.23612"
                           zFract="0.19064446"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26498"
                           xFract="0.74229621"
                           y3="8.42594"
                           yFract="0.99833412"
                           z3="8.50207"
                           zFract="0.38263141"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34315"
                           xFract="0.75155806"
                           y3="2.0990"
                           yFract="0.24869668"
                           z3="6.40472"
                           zFract="0.28824122"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29597"
                           xFract="0.74596801"
                           y3="6.32707"
                           yFract="0.74965284"
                           z3="6.41592"
                           zFract="0.28874527"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03266"
                           xFract="0.00386967"
                           y3="4.19641"
                           yFract="0.49720498"
                           z3="6.19781"
                           zFract="0.27892934"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13693"
                           xFract="0.25319076"
                           y3="4.22218"
                           yFract="0.50025829"
                           z3="4.23626"
                           zFract="0.19065077"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00054"
                           xFract="-0.00006398"
                           y3="6.35793"
                           yFract="0.75330924"
                           z3="4.2517"
                           zFract="0.19134563"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02871"
                           xFract="0.00340166"
                           y3="2.12809"
                           yFract="0.25214336"
                           z3="6.54037"
                           zFract="0.29434608"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09941"
                           xFract="0.24874526"
                           y3="8.4353"
                           yFract="0.99944313"
                           z3="6.22295"
                           zFract="0.28006076"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37627"
                           xFract="0.99244905"
                           y3="8.36799"
                           yFract="0.99146801"
                           z3="4.32197"
                           zFract="0.1945081"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07502"
                           xFract="0.00888863"
                           y3="0.01714"
                           yFract="0.00203081"
                           z3="8.60568"
                           zFract="0.38729433"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.0857"
                           xFract="0.24712085"
                           y3="2.18928"
                           yFract="0.25939336"
                           z3="4.31951"
                           zFract="0.19439739"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16131"
                           xFract="0.25607938"
                           y3="2.19286"
                           yFract="0.25981754"
                           z3="8.53873"
                           zFract="0.38428128"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20521"
                           xFract="0.49824763"
                           y3="2.08903"
                           yFract="0.2475154"
                           z3="6.41342"
                           zFract="0.28863276"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33735"
                           xFract="0.75087085"
                           y3="8.42982"
                           yFract="0.99879384"
                           z3="6.36266"
                           zFract="0.28634833"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27553"
                           xFract="0.50657938"
                           y3="8.43064"
                           yFract="0.998891"
                           z3="4.22166"
                           zFract="0.1899937"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13403"
                           xFract="0.48981398"
                           y3="0.0716"
                           yFract="0.00848341"
                           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="6.3737"
                           xFract="0.75517773"
                           y3="2.11602"
                           yFract="0.25071327"
                           z3="4.23563"
                           zFract="0.19062241"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26823"
                           xFract="0.74268128"
                           y3="2.06075"
                           yFract="0.24416469"
                           z3="8.60164"
                           zFract="0.38711251"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02482"
                           xFract="0.00294076"
                           y3="6.31611"
                           yFract="0.74835427"
                           z3="6.47736"
                           zFract="0.29151035"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07159"
                           xFract="0.24544905"
                           y3="4.23082"
                           yFract="0.50128199"
                           z3="6.34238"
                           zFract="0.28543564"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36734"
                           xFract="0.991391"
                           y3="4.31521"
                           yFract="0.51128081"
                           z3="4.16061"
                           zFract="0.18724617"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24876"
                           xFract="0.97734123"
                           y3="4.1093"
                           yFract="0.48688389"
                           z3="9.19915"
                           zFract="0.41400315"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14711"
                           xFract="0.25439692"
                           y3="6.26812"
                           yFract="0.74266825"
                           z3="4.21763"
                           zFract="0.18981233"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14784"
                           xFract="0.25448341"
                           y3="6.24922"
                           yFract="0.74042891"
                           z3="8.54445"
                           zFract="0.3845387"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20518"
                           xFract="0.49824408"
                           y3="6.34627"
                           yFract="0.75192773"
                           z3="6.24945"
                           zFract="0.28125338"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43161"
                           xFract="0.7620391"
                           y3="4.22049"
                           yFract="0.50005806"
                           z3="6.49996"
                           zFract="0.29252745"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30216"
                           xFract="0.5097346"
                           y3="4.22055"
                           yFract="0.50006517"
                           z3="4.24096"
                           zFract="0.19086229"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27315"
                           xFract="0.50629739"
                           y3="4.1324"
                           yFract="0.48962085"
                           z3="8.5437"
                           zFract="0.38450495"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27228"
                           xFract="0.74316114"
                           y3="6.31608"
                           yFract="0.74835071"
                           z3="4.21774"
                           zFract="0.18981728"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28088"
                           xFract="0.74418009"
                           y3="6.34987"
                           yFract="0.75235427"
                           z3="8.63208"
                           zFract="0.38848245"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="0.00319"
                           xFract="0.00037796"
                           y3="4.23924"
                           yFract="0.50227962"
                           z3="10.15271"
                           zFract="0.45691764"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20121"
                           xFract="0.4977737"
                           y3="2.0997"
                           yFract="0.24877962"
                           z3="8.50428"
                           zFract="0.38273087"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17706"
                           xFract="0.49491232"
                           y3="8.42159"
                           yFract="0.99781872"
                           z3="6.38833"
                           zFract="0.2875036"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22545"
                           xFract="0.50064573"
                           y3="6.34247"
                           yFract="0.75147749"
                           z3="4.23747"
                           zFract="0.19070522"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33101"
                           xFract="0.75011967"
                           y3="4.22432"
                           yFract="0.50051185"
                           z3="4.19914"
                           zFract="0.1889802"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03311"
                           xFract="0.00392299"
                           y3="0.00309"
                           yFract="0.00036611"
                           z3="6.42736"
                           zFract="0.28926013"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1121"
                           xFract="0.25024882"
                           y3="2.10482"
                           yFract="0.24938626"
                           z3="6.41747"
                           zFract="0.28881503"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.04061"
                           xFract="0.00481161"
                           y3="2.04162"
                           yFract="0.2418981"
                           z3="8.56418"
                           zFract="0.38542664"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13975"
                           xFract="0.25352488"
                           y3="6.33774"
                           yFract="0.75091706"
                           z3="6.3892"
                           zFract="0.28754275"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33341"
                           xFract="0.75040403"
                           y3="8.43252"
                           yFract="0.99911374"
                           z3="4.24263"
                           zFract="0.19093744"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25315"
                           xFract="0.74089455"
                           y3="4.21993"
                           yFract="0.49999171"
                           z3="8.56046"
                           zFract="0.38525923"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1037"
                           xFract="0.24925355"
                           y3="0.01319"
                           yFract="0.0015628"
                           z3="4.22326"
                           zFract="0.19006571"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18272"
                           xFract="0.49558294"
                           y3="6.33253"
                           yFract="0.75029976"
                           z3="8.68254"
                           zFract="0.39075338"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1318"
                           xFract="0.25258294"
                           y3="0.00853"
                           yFract="0.00101066"
                           z3="8.64806"
                           zFract="0.38920162"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0211"
                           xFract="0.0025"
                           y3="2.07125"
                           yFract="0.24540877"
                           z3="4.23623"
                           zFract="0.19064941"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20297"
                           xFract="0.2610154"
                           y3="4.2278"
                           yFract="0.50092417"
                           z3="8.63573"
                           zFract="0.38864671"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04659"
                           xFract="0.00552014"
                           y3="6.43282"
                           yFract="0.76218246"
                           z3="8.5361"
                           zFract="0.38416292"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19893"
                           xFract="0.49750355"
                           y3="4.24564"
                           yFract="0.50303791"
                           z3="6.40847"
                           zFract="0.28840999"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21409"
                           xFract="0.49929976"
                           y3="2.08942"
                           yFract="0.24756161"
                           z3="4.23612"
                           zFract="0.19064446"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26472"
                           xFract="0.7422654"
                           y3="8.42609"
                           yFract="0.9983519"
                           z3="8.50256"
                           zFract="0.38265347"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34326"
                           xFract="0.75157109"
                           y3="2.09916"
                           yFract="0.24871564"
                           z3="6.40531"
                           zFract="0.28826778"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29596"
                           xFract="0.74596682"
                           y3="6.32718"
                           yFract="0.74966588"
                           z3="6.41634"
                           zFract="0.28876418"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03264"
                           xFract="0.0038673"
                           y3="4.19632"
                           yFract="0.49719431"
                           z3="6.19738"
                           zFract="0.27890999"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.1367"
                           xFract="0.25316351"
                           y3="4.22219"
                           yFract="0.50025948"
                           z3="4.23627"
                           zFract="0.19065122"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00065"
                           xFract="-0.00007701"
                           y3="6.35785"
                           yFract="0.75329976"
                           z3="4.25162"
                           zFract="0.19134203"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02868"
                           xFract="0.0033981"
                           y3="2.12807"
                           yFract="0.252141"
                           z3="6.54083"
                           zFract="0.29436679"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09939"
                           xFract="0.24874289"
                           y3="8.43539"
                           yFract="0.99945379"
                           z3="6.22301"
                           zFract="0.28006346"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37627"
                           xFract="0.99244905"
                           y3="8.36835"
                           yFract="0.99151066"
                           z3="4.32191"
                           zFract="0.1945054"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07538"
                           xFract="0.00893128"
                           y3="0.01729"
                           yFract="0.00204858"
                           z3="8.60649"
                           zFract="0.38733078"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08535"
                           xFract="0.24707938"
                           y3="2.18911"
                           yFract="0.25937322"
                           z3="4.31979"
                           zFract="0.19440999"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16148"
                           xFract="0.25609953"
                           y3="2.19309"
                           yFract="0.25984479"
                           z3="8.53915"
                           zFract="0.38430018"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20534"
                           xFract="0.49826303"
                           y3="2.08906"
                           yFract="0.24751896"
                           z3="6.41389"
                           zFract="0.28865392"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33761"
                           xFract="0.75090166"
                           y3="8.42985"
                           yFract="0.99879739"
                           z3="6.36328"
                           zFract="0.28637624"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27574"
                           xFract="0.50660427"
                           y3="8.43066"
                           yFract="0.99889336"
                           z3="4.22165"
                           zFract="0.18999325"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13431"
                           xFract="0.48984716"
                           y3="0.07166"
                           yFract="0.00849052"
                           z3="8.48439"
                           zFract="0.38183573"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37402"
                           xFract="0.75521564"
                           y3="2.11604"
                           yFract="0.25071564"
                           z3="4.23586"
                           zFract="0.19063276"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26811"
                           xFract="0.74266706"
                           y3="2.06036"
                           yFract="0.24411848"
                           z3="8.60218"
                           zFract="0.38713681"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02485"
                           xFract="0.00294431"
                           y3="6.31626"
                           yFract="0.74837204"
                           z3="6.47776"
                           zFract="0.29152835"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0718"
                           xFract="0.24547393"
                           y3="4.23079"
                           yFract="0.50127844"
                           z3="6.34217"
                           zFract="0.28542619"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36751"
                           xFract="0.99141114"
                           y3="4.31486"
                           yFract="0.51123934"
                           z3="4.16068"
                           zFract="0.18724932"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24772"
                           xFract="0.97721801"
                           y3="4.10828"
                           yFract="0.48676303"
                           z3="9.20068"
                           zFract="0.41407201"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14724"
                           xFract="0.25441232"
                           y3="6.26831"
                           yFract="0.74269076"
                           z3="4.21781"
                           zFract="0.18982043"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14806"
                           xFract="0.25450948"
                           y3="6.2490"
                           yFract="0.74040284"
                           z3="8.54468"
                           zFract="0.38454905"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20531"
                           xFract="0.49825948"
                           y3="6.34644"
                           yFract="0.75194787"
                           z3="6.24957"
                           zFract="0.28125878"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43164"
                           xFract="0.76204265"
                           y3="4.22047"
                           yFract="0.50005569"
                           z3="6.50036"
                           zFract="0.29254545"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30211"
                           xFract="0.50972867"
                           y3="4.22035"
                           yFract="0.50004147"
                           z3="4.2410"
                           zFract="0.19086409"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2737"
                           xFract="0.50636256"
                           y3="4.13251"
                           yFract="0.48963389"
                           z3="8.54416"
                           zFract="0.38452565"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27235"
                           xFract="0.74316943"
                           y3="6.31607"
                           yFract="0.74834953"
                           z3="4.21818"
                           zFract="0.18983708"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28097"
                           xFract="0.74419076"
                           y3="6.3497"
                           yFract="0.75233412"
                           z3="8.63254"
                           zFract="0.38850315"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.00168"
                           xFract="-0.00019905"
                           y3="4.23729"
                           yFract="0.50204858"
                           z3="10.15511"
                           zFract="0.45702565"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2008"
                           xFract="0.49772512"
                           y3="2.09994"
                           yFract="0.24880806"
                           z3="8.50611"
                           zFract="0.38281323"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17762"
                           xFract="0.49497867"
                           y3="8.42249"
                           yFract="0.99792536"
                           z3="6.3871"
                           zFract="0.28744824"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22531"
                           xFract="0.50062915"
                           y3="6.34237"
                           yFract="0.75146564"
                           z3="4.23762"
                           zFract="0.19071197"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33107"
                           xFract="0.75012678"
                           y3="4.22418"
                           yFract="0.50049526"
                           z3="4.19895"
                           zFract="0.18897165"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03377"
                           xFract="0.00400118"
                           y3="0.0034"
                           yFract="0.00040284"
                           z3="6.42776"
                           zFract="0.28927813"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11233"
                           xFract="0.25027607"
                           y3="2.10518"
                           yFract="0.24942891"
                           z3="6.41915"
                           zFract="0.28889064"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03988"
                           xFract="0.00472512"
                           y3="2.04272"
                           yFract="0.24202844"
                           z3="8.56631"
                           zFract="0.3855225"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14074"
                           xFract="0.25364218"
                           y3="6.3379"
                           yFract="0.75093602"
                           z3="6.39116"
                           zFract="0.28763096"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33314"
                           xFract="0.75037204"
                           y3="8.43266"
                           yFract="0.99913033"
                           z3="4.24277"
                           zFract="0.19094374"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25228"
                           xFract="0.74079147"
                           y3="4.22003"
                           yFract="0.50000355"
                           z3="8.56249"
                           zFract="0.38535059"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10344"
                           xFract="0.24922275"
                           y3="0.01342"
                           yFract="0.00159005"
                           z3="4.22286"
                           zFract="0.1900477"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18268"
                           xFract="0.4955782"
                           y3="6.33224"
                           yFract="0.7502654"
                           z3="8.68349"
                           zFract="0.39079613"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13182"
                           xFract="0.25258531"
                           y3="0.00786"
                           yFract="0.00093128"
                           z3="8.6486"
                           zFract="0.38922592"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02077"
                           xFract="0.0024609"
                           y3="2.07117"
                           yFract="0.24539929"
                           z3="4.23646"
                           zFract="0.19065977"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20245"
                           xFract="0.26095379"
                           y3="4.22759"
                           yFract="0.50089929"
                           z3="8.63743"
                           zFract="0.38872322"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04627"
                           xFract="0.00548223"
                           y3="6.43399"
                           yFract="0.76232109"
                           z3="8.53815"
                           zFract="0.38425518"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19948"
                           xFract="0.49756872"
                           y3="4.24575"
                           yFract="0.50305095"
                           z3="6.40968"
                           zFract="0.28846445"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21381"
                           xFract="0.49926659"
                           y3="2.08929"
                           yFract="0.24754621"
                           z3="4.23611"
                           zFract="0.19064401"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26397"
                           xFract="0.74217654"
                           y3="8.42654"
                           yFract="0.99840521"
                           z3="8.50401"
                           zFract="0.38271872"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34359"
                           xFract="0.75161019"
                           y3="2.09964"
                           yFract="0.24877251"
                           z3="6.40708"
                           zFract="0.28834743"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29596"
                           xFract="0.74596682"
                           y3="6.32751"
                           yFract="0.74970498"
                           z3="6.4176"
                           zFract="0.28882088"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03259"
                           xFract="0.00386137"
                           y3="4.19607"
                           yFract="0.49716469"
                           z3="6.19609"
                           zFract="0.27885194"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13602"
                           xFract="0.25308294"
                           y3="4.22223"
                           yFract="0.50026422"
                           z3="4.23628"
                           zFract="0.19065167"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00098"
                           xFract="-0.00011611"
                           y3="6.35762"
                           yFract="0.75327251"
                           z3="4.25136"
                           zFract="0.19133033"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02862"
                           xFract="0.003391"
                           y3="2.12802"
                           yFract="0.25213507"
                           z3="6.5422"
                           zFract="0.29442844"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09935"
                           xFract="0.24873815"
                           y3="8.43567"
                           yFract="0.99948697"
                           z3="6.22319"
                           zFract="0.28007156"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37628"
                           xFract="0.99245024"
                           y3="8.36942"
                           yFract="0.99163744"
                           z3="4.32172"
                           zFract="0.19449685"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07643"
                           xFract="0.00905569"
                           y3="0.01773"
                           yFract="0.00210071"
                           z3="8.60889"
                           zFract="0.38743879"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.0843"
                           xFract="0.24695498"
                           y3="2.18859"
                           yFract="0.25931161"
                           z3="4.32064"
                           zFract="0.19444824"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1620"
                           xFract="0.25616114"
                           y3="2.19377"
                           yFract="0.25992536"
                           z3="8.54042"
                           zFract="0.38435734"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20576"
                           xFract="0.4983128"
                           y3="2.08916"
                           yFract="0.24753081"
                           z3="6.41531"
                           zFract="0.28871782"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33838"
                           xFract="0.75099289"
                           y3="8.42996"
                           yFract="0.99881043"
                           z3="6.36513"
                           zFract="0.2864595"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27637"
                           xFract="0.50667891"
                           y3="8.43073"
                           yFract="0.99890166"
                           z3="4.22163"
                           zFract="0.18999235"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13513"
                           xFract="0.48994431"
                           y3="0.07184"
                           yFract="0.00851185"
                           z3="8.48366"
                           zFract="0.38180288"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37497"
                           xFract="0.7553282"
                           y3="2.11613"
                           yFract="0.2507263"
                           z3="4.23653"
                           zFract="0.19066292"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26775"
                           xFract="0.74262441"
                           y3="2.0592"
                           yFract="0.24398104"
                           z3="8.6038"
                           zFract="0.38720972"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02493"
                           xFract="0.00295379"
                           y3="6.31671"
                           yFract="0.74842536"
                           z3="6.47898"
                           zFract="0.29158326"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07241"
                           xFract="0.24554621"
                           y3="4.2307"
                           yFract="0.50126777"
                           z3="6.34153"
                           zFract="0.28539739"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3680"
                           xFract="0.99146919"
                           y3="4.3138"
                           yFract="0.51111374"
                           z3="4.16088"
                           zFract="0.18725833"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24459"
                           xFract="0.97684716"
                           y3="4.10523"
                           yFract="0.48640166"
                           z3="9.20524"
                           zFract="0.41427723"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14762"
                           xFract="0.25445735"
                           y3="6.26889"
                           yFract="0.74275948"
                           z3="4.21835"
                           zFract="0.18984473"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14873"
                           xFract="0.25458886"
                           y3="6.24833"
                           yFract="0.74032346"
                           z3="8.54536"
                           zFract="0.38457966"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2057"
                           xFract="0.49830569"
                           y3="6.34695"
                           yFract="0.75200829"
                           z3="6.24992"
                           zFract="0.28127453"/>
                     <atom elementType="O"
                           id="a74"
                           x3="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="4.22042"
                           yFract="0.50004976"
                           z3="6.50155"
                           zFract="0.29259901"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30194"
                           xFract="0.50970853"
                           y3="4.21974"
                           yFract="0.49996919"
                           z3="4.24112"
                           zFract="0.19086949"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27535"
                           xFract="0.50655806"
                           y3="4.13282"
                           yFract="0.48967062"
                           z3="8.54551"
                           zFract="0.38458641"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27258"
                           xFract="0.74319668"
                           y3="6.31605"
                           yFract="0.74834716"
                           z3="4.2195"
                           zFract="0.18989649"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28124"
                           xFract="0.74422275"
                           y3="6.34918"
                           yFract="0.75227251"
                           z3="8.63392"
                           zFract="0.38856526"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.01142"
                           xFract="-0.00135308"
                           y3="4.23339"
                           yFract="0.50158649"
                           z3="10.1599"
                           zFract="0.45724122"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.19998"
                           xFract="0.49762796"
                           y3="2.10042"
                           yFract="0.24886493"
                           z3="8.50976"
                           zFract="0.3829775"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17873"
                           xFract="0.49511019"
                           y3="8.42429"
                           yFract="0.99813863"
                           z3="6.38464"
                           zFract="0.28733753"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22503"
                           xFract="0.50059597"
                           y3="6.34217"
                           yFract="0.75144194"
                           z3="4.23791"
                           zFract="0.19072502"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33118"
                           xFract="0.75013981"
                           y3="4.22388"
                           yFract="0.50045972"
                           z3="4.19857"
                           zFract="0.18895455"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03508"
                           xFract="0.0041564"
                           y3="0.00401"
                           yFract="0.00047512"
                           z3="6.42855"
                           zFract="0.28931368"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11279"
                           xFract="0.25033057"
                           y3="2.10589"
                           yFract="0.24951303"
                           z3="6.42251"
                           zFract="0.28904185"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0384"
                           xFract="0.00454976"
                           y3="2.0449"
                           yFract="0.24228673"
                           z3="8.57056"
                           zFract="0.38571377"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14272"
                           xFract="0.25387678"
                           y3="6.33823"
                           yFract="0.75097512"
                           z3="6.39508"
                           zFract="0.28780738"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33258"
                           xFract="0.75030569"
                           y3="8.43294"
                           yFract="0.99916351"
                           z3="4.24305"
                           zFract="0.19095635"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25054"
                           xFract="0.74058531"
                           y3="4.22025"
                           yFract="0.50002962"
                           z3="8.56655"
                           zFract="0.3855333"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10292"
                           xFract="0.24916114"
                           y3="0.01387"
                           yFract="0.00164336"
                           z3="4.22206"
                           zFract="0.1900117"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.1826"
                           xFract="0.49556872"
                           y3="6.33166"
                           yFract="0.75019668"
                           z3="8.68538"
                           zFract="0.39088119"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13186"
                           xFract="0.25259005"
                           y3="0.00654"
                           yFract="0.00077488"
                           z3="8.64967"
                           zFract="0.38927408"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02011"
                           xFract="0.0023827"
                           y3="2.0710"
                           yFract="0.24537915"
                           z3="4.23693"
                           zFract="0.19068092"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.2014"
                           xFract="0.26082938"
                           y3="4.22719"
                           yFract="0.5008519"
                           z3="8.64084"
                           zFract="0.38887669"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04562"
                           xFract="0.00540521"
                           y3="6.43632"
                           yFract="0.76259716"
                           z3="8.54224"
                           zFract="0.38443924"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20059"
                           xFract="0.49770024"
                           y3="4.24597"
                           yFract="0.50307701"
                           z3="6.41209"
                           zFract="0.28857291"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21323"
                           xFract="0.49919787"
                           y3="2.08904"
                           yFract="0.24751659"
                           z3="4.23608"
                           zFract="0.19064266"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26246"
                           xFract="0.74199763"
                           y3="8.42744"
                           yFract="0.99851185"
                           z3="8.50691"
                           zFract="0.38284923"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34425"
                           xFract="0.75168839"
                           y3="2.1006"
                           yFract="0.24888626"
                           z3="6.41061"
                           zFract="0.2885063"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29596"
                           xFract="0.74596682"
                           y3="6.32816"
                           yFract="0.74978199"
                           z3="6.42012"
                           zFract="0.28893429"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.0325"
                           xFract="0.00385071"
                           y3="4.19555"
                           yFract="0.49710308"
                           z3="6.19351"
                           zFract="0.27873582"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13466"
                           xFract="0.2529218"
                           y3="4.2223"
                           yFract="0.50027251"
                           z3="4.2363"
                           zFract="0.19065257"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00163"
                           xFract="-0.00019313"
                           y3="6.35716"
                           yFract="0.75321801"
                           z3="4.25085"
                           zFract="0.19130738"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02849"
                           xFract="0.00337559"
                           y3="2.12793"
                           yFract="0.25212441"
                           z3="6.54494"
                           zFract="0.29455176"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09927"
                           xFract="0.24872867"
                           y3="8.43622"
                           yFract="0.99955213"
                           z3="6.22355"
                           zFract="0.28008776"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37631"
                           xFract="0.99245379"
                           y3="8.37156"
                           yFract="0.991891"
                           z3="4.32133"
                           zFract="0.1944793"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07853"
                           xFract="0.0093045"
                           y3="0.01861"
                           yFract="0.00220498"
                           z3="8.6137"
                           zFract="0.38765527"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.0822"
                           xFract="0.24670616"
                           y3="2.18754"
                           yFract="0.2591872"
                           z3="4.32233"
                           zFract="0.1945243"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16304"
                           xFract="0.25628436"
                           y3="2.19513"
                           yFract="0.26008649"
                           z3="8.54294"
                           zFract="0.38447075"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20659"
                           xFract="0.49841114"
                           y3="2.08935"
                           yFract="0.24755332"
                           z3="6.41815"
                           zFract="0.28884563"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33994"
                           xFract="0.75117773"
                           y3="8.43018"
                           yFract="0.99883649"
                           z3="6.36882"
                           zFract="0.28662556"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27764"
                           xFract="0.50682938"
                           y3="8.43086"
                           yFract="0.99891706"
                           z3="4.22159"
                           zFract="0.18999055"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13679"
                           xFract="0.490141"
                           y3="0.07221"
                           yFract="0.00855569"
                           z3="8.4822"
                           zFract="0.38173717"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37687"
                           xFract="0.75555332"
                           y3="2.1163"
                           yFract="0.25074645"
                           z3="4.23788"
                           zFract="0.19072367"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26702"
                           xFract="0.74253791"
                           y3="2.05688"
                           yFract="0.24370616"
                           z3="8.60704"
                           zFract="0.38735554"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0251"
                           xFract="0.00297393"
                           y3="6.31761"
                           yFract="0.74853199"
                           z3="6.48142"
                           zFract="0.29169307"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07365"
                           xFract="0.24569313"
                           y3="4.23052"
                           yFract="0.50124645"
                           z3="6.34026"
                           zFract="0.28534023"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3690"
                           xFract="0.99158768"
                           y3="4.31168"
                           yFract="0.51086256"
                           z3="4.16128"
                           zFract="0.18727633"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.23833"
                           xFract="0.97610545"
                           y3="4.09913"
                           yFract="0.48567891"
                           z3="9.21437"
                           zFract="0.41468812"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14838"
                           xFract="0.25454739"
                           y3="6.27005"
                           yFract="0.74289692"
                           z3="4.21943"
                           zFract="0.18989334"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.15005"
                           xFract="0.25474526"
                           y3="6.24699"
                           yFract="0.74016469"
                           z3="8.54671"
                           zFract="0.38464041"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20647"
                           xFract="0.49839692"
                           y3="6.34798"
                           yFract="0.75213033"
                           z3="6.25062"
                           zFract="0.28130603"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43188"
                           xFract="0.76207109"
                           y3="4.22031"
                           yFract="0.50003673"
                           z3="6.50393"
                           zFract="0.29270612"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30161"
                           xFract="0.50966943"
                           y3="4.21852"
                           yFract="0.49982464"
                           z3="4.24136"
                           zFract="0.19088029"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27866"
                           xFract="0.50695024"
                           y3="4.13346"
                           yFract="0.48974645"
                           z3="8.54822"
                           zFract="0.38470837"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27304"
                           xFract="0.74325118"
                           y3="6.31599"
                           yFract="0.74834005"
                           z3="4.22215"
                           zFract="0.19001575"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28179"
                           xFract="0.74428791"
                           y3="6.34813"
                           yFract="0.7521481"
                           z3="8.63668"
                           zFract="0.38868947"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.00695"
                           xFract="-0.00082346"
                           y3="4.23518"
                           yFract="0.50179858"
                           z3="10.1577"
                           zFract="0.45714221"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20036"
                           xFract="0.49767299"
                           y3="2.1002"
                           yFract="0.24883886"
                           z3="8.50808"
                           zFract="0.38290189"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17822"
                           xFract="0.49504976"
                           y3="8.42346"
                           yFract="0.99804028"
                           z3="6.38577"
                           zFract="0.28738839"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22516"
                           xFract="0.50061137"
                           y3="6.34226"
                           yFract="0.75145261"
                           z3="4.23778"
                           zFract="0.19071917"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33113"
                           xFract="0.75013389"
                           y3="4.22402"
                           yFract="0.5004763"
                           z3="4.19875"
                           zFract="0.18896265"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03448"
                           xFract="0.00408531"
                           y3="0.00373"
                           yFract="0.00044194"
                           z3="6.42819"
                           zFract="0.28929748"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11258"
                           xFract="0.25030569"
                           y3="2.10556"
                           yFract="0.24947393"
                           z3="6.42097"
                           zFract="0.28897255"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03908"
                           xFract="0.00463033"
                           y3="2.0439"
                           yFract="0.24216825"
                           z3="8.5686"
                           zFract="0.38562556"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14181"
                           xFract="0.25376896"
                           y3="6.33808"
                           yFract="0.75095735"
                           z3="6.39328"
                           zFract="0.28772637"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33283"
                           xFract="0.75033531"
                           y3="8.43281"
                           yFract="0.9991481"
                           z3="4.24292"
                           zFract="0.1909505"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25134"
                           xFract="0.74068009"
                           y3="4.22015"
                           yFract="0.50001777"
                           z3="8.56469"
                           zFract="0.38544959"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10316"
                           xFract="0.24918957"
                           y3="0.01366"
                           yFract="0.00161848"
                           z3="4.22243"
                           zFract="0.19002835"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18264"
                           xFract="0.49557346"
                           y3="6.33192"
                           yFract="0.75022749"
                           z3="8.68451"
                           zFract="0.39084203"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13184"
                           xFract="0.25258768"
                           y3="0.00715"
                           yFract="0.00084716"
                           z3="8.64918"
                           zFract="0.38925203"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02041"
                           xFract="0.00241825"
                           y3="2.07108"
                           yFract="0.24538863"
                           z3="4.23671"
                           zFract="0.19067102"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20188"
                           xFract="0.26088626"
                           y3="4.22737"
                           yFract="0.50087322"
                           z3="8.63928"
                           zFract="0.38880648"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04592"
                           xFract="0.00544076"
                           y3="6.43525"
                           yFract="0.76247038"
                           z3="8.54036"
                           zFract="0.38435464"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20008"
                           xFract="0.49763981"
                           y3="4.24587"
                           yFract="0.50306517"
                           z3="6.41098"
                           zFract="0.28852295"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2135"
                           xFract="0.49922986"
                           y3="2.08916"
                           yFract="0.24753081"
                           z3="4.23609"
                           zFract="0.19064311"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26316"
                           xFract="0.74208057"
                           y3="8.42703"
                           yFract="0.99846327"
                           z3="8.50558"
                           zFract="0.38278938"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34394"
                           xFract="0.75165166"
                           y3="2.10016"
                           yFract="0.24883412"
                           z3="6.40899"
                           zFract="0.28843339"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29596"
                           xFract="0.74596682"
                           y3="6.32786"
                           yFract="0.74974645"
                           z3="6.41896"
                           zFract="0.28888209"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03254"
                           xFract="0.00385545"
                           y3="4.19579"
                           yFract="0.49713152"
                           z3="6.1947"
                           zFract="0.27878938"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13528"
                           xFract="0.25299526"
                           y3="4.22226"
                           yFract="0.50026777"
                           z3="4.23629"
                           zFract="0.19065212"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00133"
                           xFract="-0.00015758"
                           y3="6.35737"
                           yFract="0.75324289"
                           z3="4.25109"
                           zFract="0.19131818"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02855"
                           xFract="0.0033827"
                           y3="2.12797"
                           yFract="0.25212915"
                           z3="6.54368"
                           zFract="0.29449505"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09931"
                           xFract="0.24873341"
                           y3="8.43596"
                           yFract="0.99952133"
                           z3="6.22339"
                           zFract="0.28008056"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3763"
                           xFract="0.99245261"
                           y3="8.37057"
                           yFract="0.9917737"
                           z3="4.32151"
                           zFract="0.1944874"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07757"
                           xFract="0.00919076"
                           y3="0.0182"
                           yFract="0.0021564"
                           z3="8.61149"
                           zFract="0.38755581"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08316"
                           xFract="0.24681991"
                           y3="2.18802"
                           yFract="0.25924408"
                           z3="4.32155"
                           zFract="0.1944892"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16256"
                           xFract="0.25622749"
                           y3="2.1945"
                           yFract="0.26001185"
                           z3="8.54178"
                           zFract="0.38441854"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20621"
                           xFract="0.49836611"
                           y3="2.08926"
                           yFract="0.24754265"
                           z3="6.41685"
                           zFract="0.28878713"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33922"
                           xFract="0.75109242"
                           y3="8.43008"
                           yFract="0.99882464"
                           z3="6.36712"
                           zFract="0.28654905"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27706"
                           xFract="0.50676066"
                           y3="8.4308"
                           yFract="0.99890995"
                           z3="4.22161"
                           zFract="0.18999145"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13603"
                           xFract="0.49005095"
                           y3="0.07204"
                           yFract="0.00853555"
                           z3="8.48287"
                           zFract="0.38176733"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37599"
                           xFract="0.75544905"
                           y3="2.11622"
                           yFract="0.25073697"
                           z3="4.23726"
                           zFract="0.19069577"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26735"
                           xFract="0.74257701"
                           y3="2.05795"
                           yFract="0.24383294"
                           z3="8.60555"
                           zFract="0.38728848"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02502"
                           xFract="0.00296445"
                           y3="6.3172"
                           yFract="0.74848341"
                           z3="6.4803"
                           zFract="0.29164266"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07308"
                           xFract="0.24562559"
                           y3="4.2306"
                           yFract="0.50125592"
                           z3="6.34085"
                           zFract="0.28536679"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36854"
                           xFract="0.99153318"
                           y3="4.31266"
                           yFract="0.51097867"
                           z3="4.1611"
                           zFract="0.18726823"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24121"
                           xFract="0.97644668"
                           y3="4.10193"
                           yFract="0.48601066"
                           z3="9.21017"
                           zFract="0.4144991"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14803"
                           xFract="0.25450592"
                           y3="6.26951"
                           yFract="0.74283294"
                           z3="4.21894"
                           zFract="0.18987129"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14944"
                           xFract="0.25467299"
                           y3="6.24761"
                           yFract="0.74023815"
                           z3="8.54609"
                           zFract="0.38461251"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20612"
                           xFract="0.49835545"
                           y3="6.34751"
                           yFract="0.75207464"
                           z3="6.2503"
                           zFract="0.28129163"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.4318"
                           xFract="0.76206161"
                           y3="4.22036"
                           yFract="0.50004265"
                           z3="6.50284"
                           zFract="0.29265707"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30176"
                           xFract="0.5096872"
                           y3="4.21908"
                           yFract="0.499891"
                           z3="4.24125"
                           zFract="0.19087534"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27714"
                           xFract="0.50677014"
                           y3="4.13317"
                           yFract="0.48971209"
                           z3="8.54698"
                           zFract="0.38465257"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27283"
                           xFract="0.7432263"
                           y3="6.31602"
                           yFract="0.7483436"
                           z3="4.22093"
                           zFract="0.18996085"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28154"
                           xFract="0.74425829"
                           y3="6.34861"
                           yFract="0.75220498"
                           z3="8.63541"
                           zFract="0.38863231"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.00576"
                           xFract="-0.00068246"
                           y3="4.23566"
                           yFract="0.50185545"
                           z3="10.15711"
                           zFract="0.45711566"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20046"
                           xFract="0.49768483"
                           y3="2.10014"
                           yFract="0.24883175"
                           z3="8.50764"
                           zFract="0.38288209"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17809"
                           xFract="0.49503436"
                           y3="8.42324"
                           yFract="0.99801422"
                           z3="6.38607"
                           zFract="0.28740189"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22519"
                           xFract="0.50061493"
                           y3="6.34228"
                           yFract="0.75145498"
                           z3="4.23774"
                           zFract="0.19071737"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33112"
                           xFract="0.7501327"
                           y3="4.22405"
                           yFract="0.50047986"
                           z3="4.1988"
                           zFract="0.1889649"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03431"
                           xFract="0.00406517"
                           y3="0.00365"
                           yFract="0.00043246"
                           z3="6.42809"
                           zFract="0.28929298"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11252"
                           xFract="0.25029858"
                           y3="2.10548"
                           yFract="0.24946445"
                           z3="6.42056"
                           zFract="0.2889541"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03926"
                           xFract="0.00465166"
                           y3="2.04363"
                           yFract="0.24213626"
                           z3="8.56808"
                           zFract="0.38560216"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14157"
                           xFract="0.25374052"
                           y3="6.33804"
                           yFract="0.75095261"
                           z3="6.3928"
                           zFract="0.28770477"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.3329"
                           xFract="0.7503436"
                           y3="8.43277"
                           yFract="0.99914336"
                           z3="4.24289"
                           zFract="0.19094914"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25156"
                           xFract="0.74070616"
                           y3="4.22012"
                           yFract="0.50001422"
                           z3="8.56419"
                           zFract="0.38542709"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10322"
                           xFract="0.24919668"
                           y3="0.01361"
                           yFract="0.00161256"
                           z3="4.22253"
                           zFract="0.19003285"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18265"
                           xFract="0.49557464"
                           y3="6.3320"
                           yFract="0.75023697"
                           z3="8.68428"
                           zFract="0.39083168"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13184"
                           xFract="0.25258768"
                           y3="0.00731"
                           yFract="0.00086611"
                           z3="8.64905"
                           zFract="0.38924617"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02049"
                           xFract="0.00242773"
                           y3="2.0711"
                           yFract="0.245391"
                           z3="4.23666"
                           zFract="0.19066877"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20201"
                           xFract="0.26090166"
                           y3="4.22742"
                           yFract="0.50087915"
                           z3="8.63886"
                           zFract="0.38878758"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04599"
                           xFract="0.00544905"
                           y3="6.43497"
                           yFract="0.7624372"
                           z3="8.53986"
                           zFract="0.38433213"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.19995"
                           xFract="0.49762441"
                           y3="4.24585"
                           yFract="0.5030628"
                           z3="6.41068"
                           zFract="0.28850945"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21357"
                           xFract="0.49923815"
                           y3="2.08919"
                           yFract="0.24753436"
                           z3="4.2361"
                           zFract="0.19064356"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26334"
                           xFract="0.7421019"
                           y3="8.42692"
                           yFract="0.99845024"
                           z3="8.50522"
                           zFract="0.38277318"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34386"
                           xFract="0.75164218"
                           y3="2.10004"
                           yFract="0.24881991"
                           z3="6.40856"
                           zFract="0.28841404"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29596"
                           xFract="0.74596682"
                           y3="6.32778"
                           yFract="0.74973697"
                           z3="6.41865"
                           zFract="0.28886814"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03255"
                           xFract="0.00385664"
                           y3="4.19585"
                           yFract="0.49713863"
                           z3="6.19501"
                           zFract="0.27880333"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13545"
                           xFract="0.2530154"
                           y3="4.22226"
                           yFract="0.50026777"
                           z3="4.23629"
                           zFract="0.19065212"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00125"
                           xFract="-0.0001481"
                           y3="6.35743"
                           yFract="0.75325"
                           z3="4.25115"
                           zFract="0.19132088"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02856"
                           xFract="0.00338389"
                           y3="2.12798"
                           yFract="0.25213033"
                           z3="6.54334"
                           zFract="0.29447975"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09932"
                           xFract="0.2487346"
                           y3="8.4359"
                           yFract="0.99951422"
                           z3="6.22334"
                           zFract="0.28007831"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37629"
                           xFract="0.99245142"
                           y3="8.37031"
                           yFract="0.99174289"
                           z3="4.32155"
                           zFract="0.1944892"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07731"
                           xFract="0.00915995"
                           y3="0.0181"
                           yFract="0.00214455"
                           z3="8.6109"
                           zFract="0.38752925"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08342"
                           xFract="0.24685071"
                           y3="2.18815"
                           yFract="0.25925948"
                           z3="4.32135"
                           zFract="0.1944802"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16243"
                           xFract="0.25621209"
                           y3="2.19434"
                           yFract="0.25999289"
                           z3="8.54147"
                           zFract="0.38440459"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20611"
                           xFract="0.49835427"
                           y3="2.08924"
                           yFract="0.24754028"
                           z3="6.4165"
                           zFract="0.28877138"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33903"
                           xFract="0.75106991"
                           y3="8.43005"
                           yFract="0.99882109"
                           z3="6.36667"
                           zFract="0.2865288"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2769"
                           xFract="0.50674171"
                           y3="8.43078"
                           yFract="0.99890758"
                           z3="4.22161"
                           zFract="0.18999145"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13583"
                           xFract="0.49002725"
                           y3="0.0720"
                           yFract="0.00853081"
                           z3="8.48305"
                           zFract="0.38177543"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37576"
                           xFract="0.7554218"
                           y3="2.1162"
                           yFract="0.2507346"
                           z3="4.2371"
                           zFract="0.19068857"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26744"
                           xFract="0.74258768"
                           y3="2.05823"
                           yFract="0.24386611"
                           z3="8.60516"
                           zFract="0.38727093"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0250"
                           xFract="0.00296209"
                           y3="6.31709"
                           yFract="0.74847038"
                           z3="6.4800"
                           zFract="0.29162916"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07293"
                           xFract="0.24560782"
                           y3="4.23062"
                           yFract="0.50125829"
                           z3="6.3410"
                           zFract="0.28537354"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36842"
                           xFract="0.99151896"
                           y3="4.31292"
                           yFract="0.51100948"
                           z3="4.16105"
                           zFract="0.18726598"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24197"
                           xFract="0.97653673"
                           y3="4.10268"
                           yFract="0.48609953"
                           z3="9.20906"
                           zFract="0.41444914"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14794"
                           xFract="0.25449526"
                           y3="6.26937"
                           yFract="0.74281635"
                           z3="4.2188"
                           zFract="0.18986499"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14928"
                           xFract="0.25465403"
                           y3="6.24777"
                           yFract="0.74025711"
                           z3="8.54592"
                           zFract="0.38460486"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20602"
                           xFract="0.4983436"
                           y3="6.34738"
                           yFract="0.75205924"
                           z3="6.25021"
                           zFract="0.28128758"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43178"
                           xFract="0.76205924"
                           y3="4.22037"
                           yFract="0.50004384"
                           z3="6.50255"
                           zFract="0.29264401"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.3018"
                           xFract="0.50969194"
                           y3="4.21923"
                           yFract="0.49990877"
                           z3="4.24122"
                           zFract="0.19087399"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27673"
                           xFract="0.50672156"
                           y3="4.13309"
                           yFract="0.48970261"
                           z3="8.54664"
                           zFract="0.38463726"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27277"
                           xFract="0.74321919"
                           y3="6.31602"
                           yFract="0.7483436"
                           z3="4.22061"
                           zFract="0.18994644"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28147"
                           xFract="0.74425"
                           y3="6.34874"
                           yFract="0.75222038"
                           z3="8.63508"
                           zFract="0.38861746"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.00607"
                           xFract="-0.00071919"
                           y3="4.23545"
                           yFract="0.50183057"
                           z3="10.15668"
                           zFract="0.45709631"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20057"
                           xFract="0.49769787"
                           y3="2.1002"
                           yFract="0.24883886"
                           z3="8.50751"
                           zFract="0.38287624"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17815"
                           xFract="0.49504147"
                           y3="8.42323"
                           yFract="0.99801303"
                           z3="6.38616"
                           zFract="0.28740594"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22518"
                           xFract="0.50061374"
                           y3="6.34222"
                           yFract="0.75144787"
                           z3="4.23783"
                           zFract="0.19072142"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33096"
                           xFract="0.75011374"
                           y3="4.22406"
                           yFract="0.50048104"
                           z3="4.19887"
                           zFract="0.18896805"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03433"
                           xFract="0.00406754"
                           y3="0.00366"
                           yFract="0.00043365"
                           z3="6.42813"
                           zFract="0.28929478"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11248"
                           xFract="0.25029384"
                           y3="2.10548"
                           yFract="0.24946445"
                           z3="6.42047"
                           zFract="0.28895005"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03927"
                           xFract="0.00465284"
                           y3="2.04354"
                           yFract="0.24212559"
                           z3="8.5683"
                           zFract="0.38561206"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14145"
                           xFract="0.2537263"
                           y3="6.33803"
                           yFract="0.75095142"
                           z3="6.39268"
                           zFract="0.28769937"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33298"
                           xFract="0.75035308"
                           y3="8.43278"
                           yFract="0.99914455"
                           z3="4.24305"
                           zFract="0.19095635"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25178"
                           xFract="0.74073223"
                           y3="4.22004"
                           yFract="0.50000474"
                           z3="8.56411"
                           zFract="0.38542349"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10331"
                           xFract="0.24920735"
                           y3="0.01362"
                           yFract="0.00161374"
                           z3="4.22266"
                           zFract="0.1900387"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18278"
                           xFract="0.49559005"
                           y3="6.3319"
                           yFract="0.75022512"
                           z3="8.6844"
                           zFract="0.39083708"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13189"
                           xFract="0.2525936"
                           y3="0.00741"
                           yFract="0.00087796"
                           z3="8.64911"
                           zFract="0.38924887"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02054"
                           xFract="0.00243365"
                           y3="2.07113"
                           yFract="0.24539455"
                           z3="4.23674"
                           zFract="0.19067237"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20204"
                           xFract="0.26090521"
                           y3="4.22733"
                           yFract="0.50086848"
                           z3="8.6389"
                           zFract="0.38878938"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04603"
                           xFract="0.00545379"
                           y3="6.43477"
                           yFract="0.76241351"
                           z3="8.53975"
                           zFract="0.38432718"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20003"
                           xFract="0.49763389"
                           y3="4.24586"
                           yFract="0.50306398"
                           z3="6.41072"
                           zFract="0.28851125"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21355"
                           xFract="0.49923578"
                           y3="2.08925"
                           yFract="0.24754147"
                           z3="4.23622"
                           zFract="0.19064896"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26349"
                           xFract="0.74211967"
                           y3="8.42689"
                           yFract="0.99844668"
                           z3="8.5053"
                           zFract="0.38277678"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34383"
                           xFract="0.75163863"
                           y3="2.10006"
                           yFract="0.24882227"
                           z3="6.40867"
                           zFract="0.28841899"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29607"
                           xFract="0.74597986"
                           y3="6.32778"
                           yFract="0.74973697"
                           z3="6.41876"
                           zFract="0.28887309"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03239"
                           xFract="0.00383768"
                           y3="4.19589"
                           yFract="0.49714336"
                           z3="6.1953"
                           zFract="0.27881638"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.1356"
                           xFract="0.25303318"
                           y3="4.22221"
                           yFract="0.50026185"
                           z3="4.23635"
                           zFract="0.19065482"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00129"
                           xFract="-0.00015284"
                           y3="6.35758"
                           yFract="0.75326777"
                           z3="4.25134"
                           zFract="0.19132943"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02863"
                           xFract="0.00339218"
                           y3="2.12808"
                           yFract="0.25214218"
                           z3="6.54333"
                           zFract="0.2944793"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09943"
                           xFract="0.24874763"
                           y3="8.43586"
                           yFract="0.99950948"
                           z3="6.22339"
                           zFract="0.28008056"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37613"
                           xFract="0.99243246"
                           y3="8.37009"
                           yFract="0.99171682"
                           z3="4.32157"
                           zFract="0.1944901"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07734"
                           xFract="0.00916351"
                           y3="0.01827"
                           yFract="0.00216469"
                           z3="8.61094"
                           zFract="0.38753105"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08353"
                           xFract="0.24686374"
                           y3="2.18806"
                           yFract="0.25924882"
                           z3="4.32141"
                           zFract="0.1944829"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16246"
                           xFract="0.25621564"
                           y3="2.19425"
                           yFract="0.25998223"
                           z3="8.54164"
                           zFract="0.38441224"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20605"
                           xFract="0.49834716"
                           y3="2.08929"
                           yFract="0.24754621"
                           z3="6.41644"
                           zFract="0.28876868"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33908"
                           xFract="0.75107583"
                           y3="8.4300"
                           yFract="0.99881517"
                           z3="6.36668"
                           zFract="0.28652925"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27693"
                           xFract="0.50674526"
                           y3="8.43076"
                           yFract="0.99890521"
                           z3="4.22173"
                           zFract="0.18999685"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13553"
                           xFract="0.48999171"
                           y3="0.07199"
                           yFract="0.00852962"
                           z3="8.48319"
                           zFract="0.38178173"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3756"
                           xFract="0.75540284"
                           y3="2.11618"
                           yFract="0.25073223"
                           z3="4.23702"
                           zFract="0.19068497"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26722"
                           xFract="0.74256161"
                           y3="2.05817"
                           yFract="0.243859"
                           z3="8.6053"
                           zFract="0.38727723"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.0251"
                           xFract="0.00297393"
                           y3="6.31704"
                           yFract="0.74846445"
                           z3="6.48001"
                           zFract="0.29162961"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07297"
                           xFract="0.24561256"
                           y3="4.23068"
                           yFract="0.5012654"
                           z3="6.34102"
                           zFract="0.28537444"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36849"
                           xFract="0.99152725"
                           y3="4.31297"
                           yFract="0.5110154"
                           z3="4.16117"
                           zFract="0.18727138"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24217"
                           xFract="0.97656043"
                           y3="4.10274"
                           yFract="0.48610664"
                           z3="9.20909"
                           zFract="0.4144505"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14797"
                           xFract="0.25449882"
                           y3="6.26946"
                           yFract="0.74282701"
                           z3="4.21875"
                           zFract="0.18986274"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14908"
                           xFract="0.25463033"
                           y3="6.24783"
                           yFract="0.74026422"
                           z3="8.54604"
                           zFract="0.38461026"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20596"
                           xFract="0.49833649"
                           y3="6.34743"
                           yFract="0.75206517"
                           z3="6.2502"
                           zFract="0.28128713"/>
                     <atom elementType="O"
                           id="a74"
                           x3="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="4.22039"
                           yFract="0.50004621"
                           z3="6.50256"
                           zFract="0.29264446"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30169"
                           xFract="0.50967891"
                           y3="4.21931"
                           yFract="0.49991825"
                           z3="4.24127"
                           zFract="0.19087624"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27632"
                           xFract="0.50667299"
                           y3="4.13302"
                           yFract="0.48969431"
                           z3="8.54678"
                           zFract="0.38464356"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27283"
                           xFract="0.7432263"
                           y3="6.31602"
                           yFract="0.7483436"
                           z3="4.22043"
                           zFract="0.18993834"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28147"
                           xFract="0.74425"
                           y3="6.34901"
                           yFract="0.75225237"
                           z3="8.6352"
                           zFract="0.38862286"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.00701"
                           xFract="-0.00083057"
                           y3="4.23482"
                           yFract="0.50175592"
                           z3="10.1554"
                           zFract="0.4570387"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20091"
                           xFract="0.49773815"
                           y3="2.10039"
                           yFract="0.24886137"
                           z3="8.50715"
                           zFract="0.38286004"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17836"
                           xFract="0.49506635"
                           y3="8.42318"
                           yFract="0.99800711"
                           z3="6.38642"
                           zFract="0.28741764"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22516"
                           xFract="0.50061137"
                           y3="6.34202"
                           yFract="0.75142417"
                           z3="4.2381"
                           zFract="0.19073357"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.33048"
                           xFract="0.75005687"
                           y3="4.2241"
                           yFract="0.50048578"
                           z3="4.19909"
                           zFract="0.18897795"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03437"
                           xFract="0.00407227"
                           y3="0.00367"
                           yFract="0.00043483"
                           z3="6.42826"
                           zFract="0.28930063"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11234"
                           xFract="0.25027725"
                           y3="2.10548"
                           yFract="0.24946445"
                           z3="6.42019"
                           zFract="0.28893744"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03929"
                           xFract="0.00465521"
                           y3="2.04328"
                           yFract="0.24209479"
                           z3="8.56896"
                           zFract="0.38564176"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14109"
                           xFract="0.25368365"
                           y3="6.33801"
                           yFract="0.75094905"
                           z3="6.39232"
                           zFract="0.28768317"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33323"
                           xFract="0.7503827"
                           y3="8.43282"
                           yFract="0.99914929"
                           z3="4.24355"
                           zFract="0.19097885"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25244"
                           xFract="0.74081043"
                           y3="4.21979"
                           yFract="0.49997512"
                           z3="8.56386"
                           zFract="0.38541224"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10359"
                           xFract="0.24924052"
                           y3="0.01364"
                           yFract="0.00161611"
                           z3="4.22306"
                           zFract="0.19005671"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18318"
                           xFract="0.49563744"
                           y3="6.33162"
                           yFract="0.75019194"
                           z3="8.68477"
                           zFract="0.39085374"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13207"
                           xFract="0.25261493"
                           y3="0.00773"
                           yFract="0.00091588"
                           z3="8.64928"
                           zFract="0.38925653"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02068"
                           xFract="0.00245024"
                           y3="2.07122"
                           yFract="0.24540521"
                           z3="4.23698"
                           zFract="0.19068317"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20213"
                           xFract="0.26091588"
                           y3="4.22705"
                           yFract="0.50083531"
                           z3="8.63904"
                           zFract="0.38879568"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04612"
                           xFract="0.00546445"
                           y3="6.43419"
                           yFract="0.76234479"
                           z3="8.53943"
                           zFract="0.38431278"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20028"
                           xFract="0.49766351"
                           y3="4.24592"
                           yFract="0.50307109"
                           z3="6.41084"
                           zFract="0.28851665"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21349"
                           xFract="0.49922867"
                           y3="2.08944"
                           yFract="0.24756398"
                           z3="4.2366"
                           zFract="0.19066607"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26393"
                           xFract="0.7421718"
                           y3="8.4268"
                           yFract="0.99843602"
                           z3="8.50554"
                           zFract="0.38278758"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34374"
                           xFract="0.75162796"
                           y3="2.10012"
                           yFract="0.24882938"
                           z3="6.4090"
                           zFract="0.28843384"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29639"
                           xFract="0.74601777"
                           y3="6.32777"
                           yFract="0.74973578"
                           z3="6.4191"
                           zFract="0.28888839"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03191"
                           xFract="0.00378081"
                           y3="4.19602"
                           yFract="0.49715877"
                           z3="6.19615"
                           zFract="0.27885464"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13605"
                           xFract="0.25308649"
                           y3="4.22208"
                           yFract="0.50024645"
                           z3="4.23654"
                           zFract="0.19066337"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.0014"
                           xFract="-0.00016588"
                           y3="6.35804"
                           yFract="0.75332227"
                           z3="4.25191"
                           zFract="0.19135509"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02883"
                           xFract="0.00341588"
                           y3="2.12838"
                           yFract="0.25217773"
                           z3="6.5433"
                           zFract="0.29447795"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.09977"
                           xFract="0.24878791"
                           y3="8.43576"
                           yFract="0.99949763"
                           z3="6.22355"
                           zFract="0.28008776"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37562"
                           xFract="0.99237204"
                           y3="8.3694"
                           yFract="0.99163507"
                           z3="4.32161"
                           zFract="0.1944919"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07745"
                           xFract="0.00917654"
                           y3="0.0188"
                           yFract="0.00222749"
                           z3="8.61104"
                           zFract="0.38753555"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08385"
                           xFract="0.24690166"
                           y3="2.1878"
                           yFract="0.25921801"
                           z3="4.3216"
                           zFract="0.19449145"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16254"
                           xFract="0.25622512"
                           y3="2.1940"
                           yFract="0.25995261"
                           z3="8.54214"
                           zFract="0.38443474"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20585"
                           xFract="0.49832346"
                           y3="2.08943"
                           yFract="0.2475628"
                           z3="6.41624"
                           zFract="0.28875968"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33921"
                           xFract="0.75109123"
                           y3="8.42986"
                           yFract="0.99879858"
                           z3="6.36672"
                           zFract="0.28653105"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27703"
                           xFract="0.50675711"
                           y3="8.4307"
                           yFract="0.9988981"
                           z3="4.22206"
                           zFract="0.1900117"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13464"
                           xFract="0.48988626"
                           y3="0.07197"
                           yFract="0.00852725"
                           z3="8.48361"
                           zFract="0.38180063"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37512"
                           xFract="0.75534597"
                           y3="2.1161"
                           yFract="0.25072275"
                           z3="4.2368"
                           zFract="0.19067507"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26657"
                           xFract="0.7424846"
                           y3="2.05797"
                           yFract="0.24383531"
                           z3="8.60574"
                           zFract="0.38729703"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02539"
                           xFract="0.00300829"
                           y3="6.3169"
                           yFract="0.74844787"
                           z3="6.48005"
                           zFract="0.29163141"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0731"
                           xFract="0.24562796"
                           y3="4.23087"
                           yFract="0.50128791"
                           z3="6.34107"
                           zFract="0.28537669"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36869"
                           xFract="0.99155095"
                           y3="4.31314"
                           yFract="0.51103555"
                           z3="4.16155"
                           zFract="0.18728848"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24277"
                           xFract="0.97663152"
                           y3="4.10291"
                           yFract="0.48612678"
                           z3="9.20921"
                           zFract="0.4144559"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14806"
                           xFract="0.25450948"
                           y3="6.26971"
                           yFract="0.74285664"
                           z3="4.2186"
                           zFract="0.18985599"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14846"
                           xFract="0.25455687"
                           y3="6.24802"
                           yFract="0.74028673"
                           z3="8.5464"
                           zFract="0.38462646"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20576"
                           xFract="0.4983128"
                           y3="6.34756"
                           yFract="0.75208057"
                           z3="6.25017"
                           zFract="0.28128578"/>
                     <atom elementType="O"
                           id="a74"
                           x3="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="4.22045"
                           yFract="0.50005332"
                           z3="6.50262"
                           zFract="0.29264716"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30137"
                           xFract="0.509641"
                           y3="4.21955"
                           yFract="0.49994668"
                           z3="4.24144"
                           zFract="0.19088389"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27506"
                           xFract="0.5065237"
                           y3="4.13283"
                           yFract="0.4896718"
                           z3="8.54718"
                           zFract="0.38466157"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27301"
                           xFract="0.74324763"
                           y3="6.3160"
                           yFract="0.74834123"
                           z3="4.21988"
                           zFract="0.18991359"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28145"
                           xFract="0.74424763"
                           y3="6.34982"
                           yFract="0.75234834"
                           z3="8.63557"
                           zFract="0.38863951"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.00889"
                           xFract="-0.00105332"
                           y3="4.23356"
                           yFract="0.50160664"
                           z3="10.15284"
                           zFract="0.45692349"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20158"
                           xFract="0.49781754"
                           y3="2.10076"
                           yFract="0.24890521"
                           z3="8.50642"
                           zFract="0.38282718"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17876"
                           xFract="0.49511374"
                           y3="8.42309"
                           yFract="0.99799645"
                           z3="6.38695"
                           zFract="0.28744149"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.2251"
                           xFract="0.50060427"
                           y3="6.34163"
                           yFract="0.75137796"
                           z3="4.23864"
                           zFract="0.19075788"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32953"
                           xFract="0.74994431"
                           y3="4.22416"
                           yFract="0.50049289"
                           z3="4.19953"
                           zFract="0.18899775"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03445"
                           xFract="0.00408175"
                           y3="0.00368"
                           yFract="0.00043602"
                           z3="6.42852"
                           zFract="0.28931233"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11208"
                           xFract="0.25024645"
                           y3="2.10549"
                           yFract="0.24946564"
                           z3="6.41964"
                           zFract="0.28891269"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03932"
                           xFract="0.00465877"
                           y3="2.04277"
                           yFract="0.24203436"
                           z3="8.57028"
                           zFract="0.38570117"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14036"
                           xFract="0.25359716"
                           y3="6.33797"
                           yFract="0.75094431"
                           z3="6.3916"
                           zFract="0.28765077"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33372"
                           xFract="0.75044076"
                           y3="8.43288"
                           yFract="0.9991564"
                           z3="4.24454"
                           zFract="0.1910234"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25377"
                           xFract="0.74096801"
                           y3="4.21929"
                           yFract="0.49991588"
                           z3="8.56335"
                           zFract="0.38538929"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10414"
                           xFract="0.24930569"
                           y3="0.01368"
                           yFract="0.00162085"
                           z3="4.22387"
                           zFract="0.19009316"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18399"
                           xFract="0.49573341"
                           y3="6.33105"
                           yFract="0.75012441"
                           z3="8.6855"
                           zFract="0.39088659"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13241"
                           xFract="0.25265521"
                           y3="0.00837"
                           yFract="0.00099171"
                           z3="8.64963"
                           zFract="0.38927228"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02096"
                           xFract="0.00248341"
                           y3="2.07142"
                           yFract="0.24542891"
                           z3="4.23746"
                           zFract="0.19070477"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20232"
                           xFract="0.26093839"
                           y3="4.22649"
                           yFract="0.50076896"
                           z3="8.63931"
                           zFract="0.38880783"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04631"
                           xFract="0.00548697"
                           y3="6.43304"
                           yFract="0.76220853"
                           z3="8.53879"
                           zFract="0.38428398"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20078"
                           xFract="0.49772275"
                           y3="4.24603"
                           yFract="0.50308412"
                           z3="6.41107"
                           zFract="0.288527"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21338"
                           xFract="0.49921564"
                           y3="2.08981"
                           yFract="0.24760782"
                           z3="4.23736"
                           zFract="0.19070027"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26481"
                           xFract="0.74227607"
                           y3="8.42662"
                           yFract="0.99841469"
                           z3="8.5060"
                           zFract="0.38280828"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34356"
                           xFract="0.75160664"
                           y3="2.10024"
                           yFract="0.2488436"
                           z3="6.40965"
                           zFract="0.2884631"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29704"
                           xFract="0.74609479"
                           y3="6.32775"
                           yFract="0.74973341"
                           z3="6.41977"
                           zFract="0.28891854"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03093"
                           xFract="0.00366469"
                           y3="4.19629"
                           yFract="0.49719076"
                           z3="6.19785"
                           zFract="0.27893114"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13695"
                           xFract="0.25319313"
                           y3="4.22183"
                           yFract="0.50021682"
                           z3="4.23692"
                           zFract="0.19068047"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00162"
                           xFract="-0.00019194"
                           y3="6.35896"
                           yFract="0.75343128"
                           z3="4.25306"
                           zFract="0.19140684"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02922"
                           xFract="0.00346209"
                           y3="2.12898"
                           yFract="0.25224882"
                           z3="6.54324"
                           zFract="0.29447525"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10045"
                           xFract="0.24886848"
                           y3="8.43556"
                           yFract="0.99947393"
                           z3="6.22385"
                           zFract="0.28010126"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37461"
                           xFract="0.99225237"
                           y3="8.36804"
                           yFract="0.99147393"
                           z3="4.3217"
                           zFract="0.19449595"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07765"
                           xFract="0.00920024"
                           y3="0.01986"
                           yFract="0.00235308"
                           z3="8.61125"
                           zFract="0.387545"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.0845"
                           xFract="0.24697867"
                           y3="2.18729"
                           yFract="0.25915758"
                           z3="4.32197"
                           zFract="0.1945081"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16269"
                           xFract="0.25624289"
                           y3="2.1935"
                           yFract="0.25989336"
                           z3="8.54314"
                           zFract="0.38447975"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20547"
                           xFract="0.49827844"
                           y3="2.08972"
                           yFract="0.24759716"
                           z3="6.41585"
                           zFract="0.28874212"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33948"
                           xFract="0.75112322"
                           y3="8.42956"
                           yFract="0.99876303"
                           z3="6.36679"
                           zFract="0.2865342"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27721"
                           xFract="0.50677844"
                           y3="8.43057"
                           yFract="0.9988827"
                           z3="4.22274"
                           zFract="0.1900423"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13287"
                           xFract="0.48967654"
                           y3="0.07194"
                           yFract="0.0085237"
                           z3="8.48446"
                           zFract="0.38183888"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37415"
                           xFract="0.75523104"
                           y3="2.11596"
                           yFract="0.25070616"
                           z3="4.23635"
                           zFract="0.19065482"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26525"
                           xFract="0.7423282"
                           y3="2.05758"
                           yFract="0.2437891"
                           z3="8.60661"
                           zFract="0.38733618"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02597"
                           xFract="0.00307701"
                           y3="6.31662"
                           yFract="0.74841469"
                           z3="6.48011"
                           zFract="0.29163411"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07336"
                           xFract="0.24565877"
                           y3="4.23123"
                           yFract="0.50133057"
                           z3="6.34116"
                           zFract="0.28538074"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3691"
                           xFract="0.99159953"
                           y3="4.31347"
                           yFract="0.51107464"
                           z3="4.1623"
                           zFract="0.18732223"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24397"
                           xFract="0.9767737"
                           y3="4.10326"
                           yFract="0.48616825"
                           z3="9.20943"
                           zFract="0.4144658"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14824"
                           xFract="0.25453081"
                           y3="6.27021"
                           yFract="0.74291588"
                           z3="4.21828"
                           zFract="0.18984158"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14722"
                           xFract="0.25440995"
                           y3="6.24839"
                           yFract="0.74033057"
                           z3="8.54712"
                           zFract="0.38465887"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20536"
                           xFract="0.4982654"
                           y3="6.34782"
                           yFract="0.75211137"
                           z3="6.2501"
                           zFract="0.28128263"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43231"
                           xFract="0.76212204"
                           y3="4.22056"
                           yFract="0.50006635"
                           z3="6.50273"
                           zFract="0.29265212"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30071"
                           xFract="0.5095628"
                           y3="4.22004"
                           yFract="0.50000474"
                           z3="4.24178"
                           zFract="0.19089919"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27255"
                           xFract="0.5062263"
                           y3="4.13243"
                           yFract="0.48962441"
                           z3="8.54797"
                           zFract="0.38469712"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27336"
                           xFract="0.7432891"
                           y3="6.31597"
                           yFract="0.74833768"
                           z3="4.21878"
                           zFract="0.18986409"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28142"
                           xFract="0.74424408"
                           y3="6.35143"
                           yFract="0.7525391"
                           z3="8.63631"
                           zFract="0.38867282"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.00841"
                           xFract="-0.00099645"
                           y3="4.23388"
                           yFract="0.50164455"
                           z3="10.15349"
                           zFract="0.45695275"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2014"
                           xFract="0.49779621"
                           y3="2.10066"
                           yFract="0.24889336"
                           z3="8.5066"
                           zFract="0.38283528"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17866"
                           xFract="0.4951019"
                           y3="8.42311"
                           yFract="0.99799882"
                           z3="6.38682"
                           zFract="0.28743564"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22511"
                           xFract="0.50060545"
                           y3="6.34173"
                           yFract="0.75138981"
                           z3="4.2385"
                           zFract="0.19075158"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32978"
                           xFract="0.74997393"
                           y3="4.22415"
                           yFract="0.50049171"
                           z3="4.19942"
                           zFract="0.1889928"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03443"
                           xFract="0.00407938"
                           y3="0.00368"
                           yFract="0.00043602"
                           z3="6.42845"
                           zFract="0.28930918"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11215"
                           xFract="0.25025474"
                           y3="2.10549"
                           yFract="0.24946564"
                           z3="6.41978"
                           zFract="0.28891899"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03931"
                           xFract="0.00465758"
                           y3="2.0429"
                           yFract="0.24204976"
                           z3="8.56995"
                           zFract="0.38568632"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14055"
                           xFract="0.25361967"
                           y3="6.33798"
                           yFract="0.7509455"
                           z3="6.39178"
                           zFract="0.28765887"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33359"
                           xFract="0.75042536"
                           y3="8.43287"
                           yFract="0.99915521"
                           z3="4.24428"
                           zFract="0.1910117"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25343"
                           xFract="0.74092773"
                           y3="4.21941"
                           yFract="0.49993009"
                           z3="8.56348"
                           zFract="0.38539514"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1040"
                           xFract="0.2492891"
                           y3="0.01367"
                           yFract="0.00161967"
                           z3="4.22366"
                           zFract="0.19008371"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18378"
                           xFract="0.49570853"
                           y3="6.3312"
                           yFract="0.75014218"
                           z3="8.68531"
                           zFract="0.39087804"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13232"
                           xFract="0.25264455"
                           y3="0.00821"
                           yFract="0.00097275"
                           z3="8.64954"
                           zFract="0.38926823"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02089"
                           xFract="0.00247512"
                           y3="2.07137"
                           yFract="0.24542299"
                           z3="4.23734"
                           zFract="0.19069937"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20227"
                           xFract="0.26093246"
                           y3="4.22663"
                           yFract="0.50078555"
                           z3="8.63924"
                           zFract="0.38880468"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04626"
                           xFract="0.00548104"
                           y3="6.43333"
                           yFract="0.76224289"
                           z3="8.53895"
                           zFract="0.38429118"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20066"
                           xFract="0.49770853"
                           y3="4.2460"
                           yFract="0.50308057"
                           z3="6.41101"
                           zFract="0.2885243"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21341"
                           xFract="0.49921919"
                           y3="2.08971"
                           yFract="0.24759597"
                           z3="4.23717"
                           zFract="0.19069172"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26459"
                           xFract="0.74225"
                           y3="8.42666"
                           yFract="0.99841943"
                           z3="8.50588"
                           zFract="0.38280288"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34361"
                           xFract="0.75161256"
                           y3="2.10021"
                           yFract="0.24884005"
                           z3="6.40948"
                           zFract="0.28845545"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29687"
                           xFract="0.74607464"
                           y3="6.32776"
                           yFract="0.7497346"
                           z3="6.4196"
                           zFract="0.28891089"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03118"
                           xFract="0.00369431"
                           y3="4.19622"
                           yFract="0.49718246"
                           z3="6.19742"
                           zFract="0.27891179"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13672"
                           xFract="0.25316588"
                           y3="4.22189"
                           yFract="0.50022393"
                           z3="4.23682"
                           zFract="0.19067597"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00156"
                           xFract="-0.00018483"
                           y3="6.35873"
                           yFract="0.75340403"
                           z3="4.25277"
                           zFract="0.19139379"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02912"
                           xFract="0.00345024"
                           y3="2.12883"
                           yFract="0.25223104"
                           z3="6.54325"
                           zFract="0.2944757"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10028"
                           xFract="0.24884834"
                           y3="8.43561"
                           yFract="0.99947986"
                           z3="6.22377"
                           zFract="0.28009766"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37487"
                           xFract="0.99228318"
                           y3="8.36839"
                           yFract="0.9915154"
                           z3="4.32168"
                           zFract="0.19449505"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.0776"
                           xFract="0.00919431"
                           y3="0.01959"
                           yFract="0.00232109"
                           z3="8.6112"
                           zFract="0.38754275"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08434"
                           xFract="0.24695972"
                           y3="2.18742"
                           yFract="0.25917299"
                           z3="4.32187"
                           zFract="0.1945036"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16265"
                           xFract="0.25623815"
                           y3="2.19363"
                           yFract="0.25990877"
                           z3="8.54288"
                           zFract="0.38446805"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20557"
                           xFract="0.49829028"
                           y3="2.08965"
                           yFract="0.24758886"
                           z3="6.41595"
                           zFract="0.28874662"/>
                     <atom elementType="O"
                           id="a54"
                           x3="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="8.42964"
                           yFract="0.99877251"
                           z3="6.36677"
                           zFract="0.2865333"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27716"
                           xFract="0.50677251"
                           y3="8.43061"
                           yFract="0.99888744"
                           z3="4.22257"
                           zFract="0.19003465"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13332"
                           xFract="0.48972986"
                           y3="0.07195"
                           yFract="0.00852488"
                           z3="8.48425"
                           zFract="0.38182943"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3744"
                           xFract="0.75526066"
                           y3="2.11599"
                           yFract="0.25070972"
                           z3="4.23646"
                           zFract="0.19065977"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26559"
                           xFract="0.74236848"
                           y3="2.05768"
                           yFract="0.24380095"
                           z3="8.60639"
                           zFract="0.38732628"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02582"
                           xFract="0.00305924"
                           y3="6.31669"
                           yFract="0.74842299"
                           z3="6.4801"
                           zFract="0.29163366"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07329"
                           xFract="0.24565047"
                           y3="4.23114"
                           yFract="0.50131991"
                           z3="6.34114"
                           zFract="0.28537984"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.3690"
                           xFract="0.99158768"
                           y3="4.31338"
                           yFract="0.51106398"
                           z3="4.1621"
                           zFract="0.18731323"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24367"
                           xFract="0.97673815"
                           y3="4.10317"
                           yFract="0.48615758"
                           z3="9.20937"
                           zFract="0.4144631"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14819"
                           xFract="0.25452488"
                           y3="6.27008"
                           yFract="0.74290047"
                           z3="4.21836"
                           zFract="0.18984518"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14754"
                           xFract="0.25444787"
                           y3="6.2483"
                           yFract="0.74031991"
                           z3="8.54693"
                           zFract="0.38465032"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20546"
                           xFract="0.49827725"
                           y3="6.34775"
                           yFract="0.75210308"
                           z3="6.25011"
                           zFract="0.28128308"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43223"
                           xFract="0.76211256"
                           y3="4.22053"
                           yFract="0.5000628"
                           z3="6.5027"
                           zFract="0.29265077"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30088"
                           xFract="0.50958294"
                           y3="4.21991"
                           yFract="0.49998934"
                           z3="4.24169"
                           zFract="0.19089514"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27319"
                           xFract="0.50630213"
                           y3="4.13253"
                           yFract="0.48963626"
                           z3="8.54777"
                           zFract="0.38468812"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27327"
                           xFract="0.74327844"
                           y3="6.31598"
                           yFract="0.74833886"
                           z3="4.21906"
                           zFract="0.18987669"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28142"
                           xFract="0.74424408"
                           y3="6.35102"
                           yFract="0.75249052"
                           z3="8.63613"
                           zFract="0.38866472"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.00869"
                           xFract="-0.00102962"
                           y3="4.23371"
                           yFract="0.50162441"
                           z3="10.15359"
                           zFract="0.45695725"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20147"
                           xFract="0.4978045"
                           y3="2.10071"
                           yFract="0.24889929"
                           z3="8.5065"
                           zFract="0.38283078"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17872"
                           xFract="0.495109"
                           y3="8.42309"
                           yFract="0.99799645"
                           z3="6.38692"
                           zFract="0.28744014"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22511"
                           xFract="0.50060545"
                           y3="6.34168"
                           yFract="0.75138389"
                           z3="4.23859"
                           zFract="0.19075563"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32964"
                           xFract="0.74995735"
                           y3="4.22416"
                           yFract="0.50049289"
                           z3="4.19948"
                           zFract="0.1889955"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03446"
                           xFract="0.00408294"
                           y3="0.0037"
                           yFract="0.00043839"
                           z3="6.4285"
                           zFract="0.28931143"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.1121"
                           xFract="0.25024882"
                           y3="2.1055"
                           yFract="0.24946682"
                           z3="6.41971"
                           zFract="0.28891584"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03934"
                           xFract="0.00466114"
                           y3="2.04281"
                           yFract="0.2420391"
                           z3="8.57019"
                           zFract="0.38569712"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14044"
                           xFract="0.25360664"
                           y3="6.33797"
                           yFract="0.75094431"
                           z3="6.39167"
                           zFract="0.28765392"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33365"
                           xFract="0.75043246"
                           y3="8.43288"
                           yFract="0.9991564"
                           z3="4.24445"
                           zFract="0.19101935"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25359"
                           xFract="0.74094668"
                           y3="4.21933"
                           yFract="0.49992062"
                           z3="8.56341"
                           zFract="0.38539199"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.1041"
                           xFract="0.24930095"
                           y3="0.01367"
                           yFract="0.00161967"
                           z3="4.2238"
                           zFract="0.19009001"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18389"
                           xFract="0.49572156"
                           y3="6.33109"
                           yFract="0.75012915"
                           z3="8.68546"
                           zFract="0.39088479"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13236"
                           xFract="0.25264929"
                           y3="0.00832"
                           yFract="0.00098578"
                           z3="8.64962"
                           zFract="0.38927183"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02094"
                           xFract="0.00248104"
                           y3="2.07141"
                           yFract="0.24542773"
                           z3="4.23743"
                           zFract="0.19070342"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20228"
                           xFract="0.26093365"
                           y3="4.22654"
                           yFract="0.50077488"
                           z3="8.63932"
                           zFract="0.38880828"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04633"
                           xFract="0.00548934"
                           y3="6.43316"
                           yFract="0.76222275"
                           z3="8.53886"
                           zFract="0.38428713"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20073"
                           xFract="0.49771682"
                           y3="4.24604"
                           yFract="0.50308531"
                           z3="6.41106"
                           zFract="0.28852655"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2134"
                           xFract="0.49921801"
                           y3="2.08976"
                           yFract="0.2476019"
                           z3="4.23729"
                           zFract="0.19069712"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26474"
                           xFract="0.74226777"
                           y3="8.42664"
                           yFract="0.99841706"
                           z3="8.50599"
                           zFract="0.38280783"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34358"
                           xFract="0.751609"
                           y3="2.10021"
                           yFract="0.24884005"
                           z3="6.4096"
                           zFract="0.28846085"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29697"
                           xFract="0.74608649"
                           y3="6.32777"
                           yFract="0.74973578"
                           z3="6.41972"
                           zFract="0.28891629"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03105"
                           xFract="0.00367891"
                           y3="4.19626"
                           yFract="0.4971872"
                           z3="6.19769"
                           zFract="0.27892394"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13687"
                           xFract="0.25318365"
                           y3="4.22186"
                           yFract="0.50022038"
                           z3="4.2369"
                           zFract="0.19067957"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.0016"
                           xFract="-0.00018957"
                           y3="6.35884"
                           yFract="0.75341706"
                           z3="4.25296"
                           zFract="0.19140234"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02916"
                           xFract="0.00345498"
                           y3="2.12894"
                           yFract="0.25224408"
                           z3="6.54329"
                           zFract="0.2944775"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10038"
                           xFract="0.24886019"
                           y3="8.43558"
                           yFract="0.9994763"
                           z3="6.22384"
                           zFract="0.28010081"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3747"
                           xFract="0.99226303"
                           y3="8.36819"
                           yFract="0.99149171"
                           z3="4.32171"
                           zFract="0.1944964"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07764"
                           xFract="0.00919905"
                           y3="0.01975"
                           yFract="0.00234005"
                           z3="8.61125"
                           zFract="0.387545"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08445"
                           xFract="0.24697275"
                           y3="2.1873"
                           yFract="0.25915877"
                           z3="4.32196"
                           zFract="0.19450765"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16269"
                           xFract="0.25624289"
                           y3="2.19353"
                           yFract="0.25989692"
                           z3="8.54306"
                           zFract="0.38447615"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20552"
                           xFract="0.49828436"
                           y3="2.08971"
                           yFract="0.24759597"
                           z3="6.41589"
                           zFract="0.28874392"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33947"
                           xFract="0.75112204"
                           y3="8.42959"
                           yFract="0.99876659"
                           z3="6.36683"
                           zFract="0.286536"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27722"
                           xFract="0.50677962"
                           y3="8.43058"
                           yFract="0.99888389"
                           z3="4.22269"
                           zFract="0.19004005"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13305"
                           xFract="0.48969787"
                           y3="0.07195"
                           yFract="0.00852488"
                           z3="8.48439"
                           zFract="0.38183573"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37423"
                           xFract="0.75524052"
                           y3="2.11598"
                           yFract="0.25070853"
                           z3="4.23641"
                           zFract="0.19065752"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26537"
                           xFract="0.74234242"
                           y3="2.05761"
                           yFract="0.24379265"
                           z3="8.60657"
                           zFract="0.38733438"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02591"
                           xFract="0.00306991"
                           y3="6.31665"
                           yFract="0.74841825"
                           z3="6.48013"
                           zFract="0.29163501"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07333"
                           xFract="0.24565521"
                           y3="4.2312"
                           yFract="0.50132701"
                           z3="6.34115"
                           zFract="0.28538029"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36907"
                           xFract="0.99159597"
                           y3="4.31344"
                           yFract="0.51107109"
                           z3="4.16227"
                           zFract="0.18732088"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24372"
                           xFract="0.97674408"
                           y3="4.10311"
                           yFract="0.48615047"
                           z3="9.20883"
                           zFract="0.41443879"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14823"
                           xFract="0.25452962"
                           y3="6.27019"
                           yFract="0.74291351"
                           z3="4.21832"
                           zFract="0.18984338"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14732"
                           xFract="0.2544218"
                           y3="6.24836"
                           yFract="0.74032701"
                           z3="8.54707"
                           zFract="0.38465662"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20542"
                           xFract="0.49827251"
                           y3="6.34779"
                           yFract="0.75210782"
                           z3="6.25012"
                           zFract="0.28128353"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43226"
                           xFract="0.76211611"
                           y3="4.22056"
                           yFract="0.50006635"
                           z3="6.50277"
                           zFract="0.29265392"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30076"
                           xFract="0.50956872"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.24176"
                           zFract="0.19089829"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27286"
                           xFract="0.50626303"
                           y3="4.13247"
                           yFract="0.48962915"
                           z3="8.54792"
                           zFract="0.38469487"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27332"
                           xFract="0.74328436"
                           y3="6.31596"
                           yFract="0.74833649"
                           z3="4.21889"
                           zFract="0.18986904"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28144"
                           xFract="0.74424645"
                           y3="6.35128"
                           yFract="0.75252133"
                           z3="8.63628"
                           zFract="0.38867147"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.00952"
                           xFract="-0.00112796"
                           y3="4.23319"
                           yFract="0.5015628"
                           z3="10.15389"
                           zFract="0.45697075"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20168"
                           xFract="0.49782938"
                           y3="2.10085"
                           yFract="0.24891588"
                           z3="8.50618"
                           zFract="0.38281638"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17892"
                           xFract="0.4951327"
                           y3="8.42303"
                           yFract="0.99798934"
                           z3="6.38724"
                           zFract="0.28745455"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22509"
                           xFract="0.50060308"
                           y3="6.34152"
                           yFract="0.75136493"
                           z3="4.23883"
                           zFract="0.19076643"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32925"
                           xFract="0.74991114"
                           y3="4.22419"
                           yFract="0.50049645"
                           z3="4.19968"
                           zFract="0.1890045"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03455"
                           xFract="0.0040936"
                           y3="0.00376"
                           yFract="0.0004455"
                           z3="6.42867"
                           zFract="0.28931908"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11194"
                           xFract="0.25022986"
                           y3="2.10553"
                           yFract="0.24947038"
                           z3="6.41949"
                           zFract="0.28890594"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03944"
                           xFract="0.00467299"
                           y3="2.04256"
                           yFract="0.24200948"
                           z3="8.57092"
                           zFract="0.38572997"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14011"
                           xFract="0.25356754"
                           y3="6.33795"
                           yFract="0.75094194"
                           z3="6.39132"
                           zFract="0.28763816"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33383"
                           xFract="0.75045379"
                           y3="8.43293"
                           yFract="0.99916232"
                           z3="4.24494"
                           zFract="0.1910414"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25405"
                           xFract="0.74100118"
                           y3="4.21906"
                           yFract="0.49988863"
                           z3="8.56318"
                           zFract="0.38538164"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10442"
                           xFract="0.24933886"
                           y3="0.01369"
                           yFract="0.00162204"
                           z3="4.22421"
                           zFract="0.19010846"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.1842"
                           xFract="0.49575829"
                           y3="6.33078"
                           yFract="0.75009242"
                           z3="8.68591"
                           zFract="0.39090504"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13248"
                           xFract="0.25266351"
                           y3="0.00867"
                           yFract="0.00102725"
                           z3="8.64985"
                           zFract="0.38928218"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02108"
                           xFract="0.00249763"
                           y3="2.07152"
                           yFract="0.24544076"
                           z3="4.23769"
                           zFract="0.19071512"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.2023"
                           xFract="0.26093602"
                           y3="4.22625"
                           yFract="0.50074052"
                           z3="8.63954"
                           zFract="0.38881818"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04652"
                           xFract="0.00551185"
                           y3="6.43264"
                           yFract="0.76216114"
                           z3="8.53858"
                           zFract="0.38427453"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20095"
                           xFract="0.49774289"
                           y3="4.24615"
                           yFract="0.50309834"
                           z3="6.41123"
                           zFract="0.2885342"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21335"
                           xFract="0.49921209"
                           y3="2.08992"
                           yFract="0.24762085"
                           z3="4.23768"
                           zFract="0.19071467"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.2652"
                           xFract="0.74232227"
                           y3="8.42657"
                           yFract="0.99840877"
                           z3="8.5063"
                           zFract="0.38282178"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34349"
                           xFract="0.75159834"
                           y3="2.10022"
                           yFract="0.24884123"
                           z3="6.40994"
                           zFract="0.28847615"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29727"
                           xFract="0.74612204"
                           y3="6.32782"
                           yFract="0.74974171"
                           z3="6.42007"
                           zFract="0.28893204"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03066"
                           xFract="0.0036327"
                           y3="4.19639"
                           yFract="0.49720261"
                           z3="6.19852"
                           zFract="0.2789613"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13729"
                           xFract="0.25323341"
                           y3="4.22174"
                           yFract="0.50020616"
                           z3="4.23712"
                           zFract="0.19068947"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00172"
                           xFract="-0.00020379"
                           y3="6.35917"
                           yFract="0.75345616"
                           z3="4.25353"
                           zFract="0.19142799"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02929"
                           xFract="0.00347038"
                           y3="2.12926"
                           yFract="0.25228199"
                           z3="6.54338"
                           zFract="0.29448155"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10071"
                           xFract="0.24889929"
                           y3="8.43548"
                           yFract="0.99946445"
                           z3="6.22403"
                           zFract="0.28010936"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37418"
                           xFract="0.99220142"
                           y3="8.36759"
                           yFract="0.99142062"
                           z3="4.32181"
                           zFract="0.1945009"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07776"
                           xFract="0.00921327"
                           y3="0.02024"
                           yFract="0.0023981"
                           z3="8.61142"
                           zFract="0.38755266"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08481"
                           xFract="0.2470154"
                           y3="2.18695"
                           yFract="0.2591173"
                           z3="4.32222"
                           zFract="0.19451935"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16278"
                           xFract="0.25625355"
                           y3="2.19324"
                           yFract="0.25986256"
                           z3="8.54361"
                           zFract="0.3845009"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20538"
                           xFract="0.49826777"
                           y3="2.08989"
                           yFract="0.2476173"
                           z3="6.41574"
                           zFract="0.28873717"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33967"
                           xFract="0.75114573"
                           y3="8.42946"
                           yFract="0.99875118"
                           z3="6.3670"
                           zFract="0.28654365"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2774"
                           xFract="0.50680095"
                           y3="8.4305"
                           yFract="0.99887441"
                           z3="4.22308"
                           zFract="0.19005761"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13223"
                           xFract="0.48960071"
                           y3="0.07196"
                           yFract="0.00852607"
                           z3="8.48482"
                           zFract="0.38185509"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37374"
                           xFract="0.75518246"
                           y3="2.11592"
                           yFract="0.25070142"
                           z3="4.23625"
                           zFract="0.19065032"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26471"
                           xFract="0.74226422"
                           y3="2.05742"
                           yFract="0.24377014"
                           z3="8.60711"
                           zFract="0.38735869"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02616"
                           xFract="0.00309953"
                           y3="6.31651"
                           yFract="0.74840166"
                           z3="6.48024"
                           zFract="0.29163996"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07346"
                           xFract="0.24567062"
                           y3="4.23139"
                           yFract="0.50134953"
                           z3="6.34117"
                           zFract="0.28538119"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36927"
                           xFract="0.99161967"
                           y3="4.31361"
                           yFract="0.51109123"
                           z3="4.16275"
                           zFract="0.18734248"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24387"
                           xFract="0.97676185"
                           y3="4.10292"
                           yFract="0.48612796"
                           z3="9.20721"
                           zFract="0.41436589"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14833"
                           xFract="0.25454147"
                           y3="6.27051"
                           yFract="0.74295142"
                           z3="4.21818"
                           zFract="0.18983708"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14666"
                           xFract="0.2543436"
                           y3="6.24855"
                           yFract="0.74034953"
                           z3="8.54747"
                           zFract="0.38467462"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2053"
                           xFract="0.49825829"
                           y3="6.34792"
                           yFract="0.75212322"
                           z3="6.25015"
                           zFract="0.28128488"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43235"
                           xFract="0.76212678"
                           y3="4.22064"
                           yFract="0.50007583"
                           z3="6.50298"
                           zFract="0.29266337"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30038"
                           xFract="0.5095237"
                           y3="4.22027"
                           yFract="0.50003199"
                           z3="4.24196"
                           zFract="0.19090729"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27189"
                           xFract="0.5061481"
                           y3="4.1323"
                           yFract="0.489609"
                           z3="8.54836"
                           zFract="0.38471467"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27346"
                           xFract="0.74330095"
                           y3="6.3159"
                           yFract="0.74832938"
                           z3="4.2184"
                           zFract="0.18984698"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28149"
                           xFract="0.74425237"
                           y3="6.35207"
                           yFract="0.75261493"
                           z3="8.63673"
                           zFract="0.38869172"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.01119"
                           xFract="-0.00132583"
                           y3="4.23216"
                           yFract="0.50144076"
                           z3="10.15449"
                           zFract="0.45699775"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20209"
                           xFract="0.49787796"
                           y3="2.10113"
                           yFract="0.24894905"
                           z3="8.50554"
                           zFract="0.38278758"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17932"
                           xFract="0.49518009"
                           y3="8.42289"
                           yFract="0.99797275"
                           z3="6.38787"
                           zFract="0.2874829"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22505"
                           xFract="0.50059834"
                           y3="6.3412"
                           yFract="0.75132701"
                           z3="4.23932"
                           zFract="0.19078848"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32845"
                           xFract="0.74981635"
                           y3="4.22425"
                           yFract="0.50050355"
                           z3="4.20006"
                           zFract="0.1890216"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03473"
                           xFract="0.00411493"
                           y3="0.00387"
                           yFract="0.00045853"
                           z3="6.42899"
                           zFract="0.28933348"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11164"
                           xFract="0.25019431"
                           y3="2.10559"
                           yFract="0.24947749"
                           z3="6.41904"
                           zFract="0.28888569"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03962"
                           xFract="0.00469431"
                           y3="2.04204"
                           yFract="0.24194787"
                           z3="8.57239"
                           zFract="0.38579613"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13945"
                           xFract="0.25348934"
                           y3="6.33789"
                           yFract="0.75093483"
                           z3="6.39063"
                           zFract="0.28760711"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33418"
                           xFract="0.75049526"
                           y3="8.43303"
                           yFract="0.99917417"
                           z3="4.24594"
                           zFract="0.19108641"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25497"
                           xFract="0.74111019"
                           y3="4.21854"
                           yFract="0.49982701"
                           z3="8.56271"
                           zFract="0.38536049"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10505"
                           xFract="0.24941351"
                           y3="0.01373"
                           yFract="0.00162678"
                           z3="4.22504"
                           zFract="0.19014581"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18483"
                           xFract="0.49583294"
                           y3="6.33015"
                           yFract="0.75001777"
                           z3="8.6868"
                           zFract="0.39094509"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13271"
                           xFract="0.25269076"
                           y3="0.00937"
                           yFract="0.00111019"
                           z3="8.65031"
                           zFract="0.38930288"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02136"
                           xFract="0.00253081"
                           y3="2.07176"
                           yFract="0.24546919"
                           z3="4.23822"
                           zFract="0.19073897"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20234"
                           xFract="0.26094076"
                           y3="4.22568"
                           yFract="0.50067299"
                           z3="8.63999"
                           zFract="0.38883843"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0469"
                           xFract="0.00555687"
                           y3="6.4316"
                           yFract="0.76203791"
                           z3="8.53803"
                           zFract="0.38424977"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20139"
                           xFract="0.49779502"
                           y3="4.24637"
                           yFract="0.50312441"
                           z3="6.41157"
                           zFract="0.2885495"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21325"
                           xFract="0.49920024"
                           y3="2.09022"
                           yFract="0.2476564"
                           z3="4.23845"
                           zFract="0.19074932"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26611"
                           xFract="0.74243009"
                           y3="8.42643"
                           yFract="0.99839218"
                           z3="8.50693"
                           zFract="0.38285014"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34331"
                           xFract="0.75157701"
                           y3="2.10024"
                           yFract="0.2488436"
                           z3="6.41063"
                           zFract="0.2885072"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29787"
                           xFract="0.74619313"
                           y3="6.32791"
                           yFract="0.74975237"
                           z3="6.42078"
                           zFract="0.288964"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.02988"
                           xFract="0.00354028"
                           y3="4.19666"
                           yFract="0.4972346"
                           z3="6.20017"
                           zFract="0.27903555"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13814"
                           xFract="0.25333412"
                           y3="4.22151"
                           yFract="0.50017891"
                           z3="4.23756"
                           zFract="0.19070927"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00194"
                           xFract="-0.00022986"
                           y3="6.35985"
                           yFract="0.75353673"
                           z3="4.25467"
                           zFract="0.1914793"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02955"
                           xFract="0.00350118"
                           y3="2.12991"
                           yFract="0.252359"
                           z3="6.54358"
                           zFract="0.29449055"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10136"
                           xFract="0.2489763"
                           y3="8.43529"
                           yFract="0.99944194"
                           z3="6.22442"
                           zFract="0.28012691"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37314"
                           xFract="0.9920782"
                           y3="8.3664"
                           yFract="0.99127962"
                           z3="4.32201"
                           zFract="0.1945099"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07799"
                           xFract="0.00924052"
                           y3="0.02122"
                           yFract="0.00251422"
                           z3="8.61174"
                           zFract="0.38756706"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08551"
                           xFract="0.24709834"
                           y3="2.18624"
                           yFract="0.25903318"
                           z3="4.32274"
                           zFract="0.19454275"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16297"
                           xFract="0.25627607"
                           y3="2.19266"
                           yFract="0.25979384"
                           z3="8.54469"
                           zFract="0.3845495"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20511"
                           xFract="0.49823578"
                           y3="2.09026"
                           yFract="0.24766114"
                           z3="6.41542"
                           zFract="0.28872277"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.34005"
                           xFract="0.75119076"
                           y3="8.42918"
                           yFract="0.99871801"
                           z3="6.36734"
                           zFract="0.28655896"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27775"
                           xFract="0.50684242"
                           y3="8.43033"
                           yFract="0.99885427"
                           z3="4.22386"
                           zFract="0.19009271"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13061"
                           xFract="0.48940877"
                           y3="0.07197"
                           yFract="0.00852725"
                           z3="8.48569"
                           zFract="0.38189424"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37274"
                           xFract="0.75506398"
                           y3="2.11582"
                           yFract="0.25068957"
                           z3="4.23594"
                           zFract="0.19063636"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26339"
                           xFract="0.74210782"
                           y3="2.05704"
                           yFract="0.24372512"
                           z3="8.60818"
                           zFract="0.38740684"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02666"
                           xFract="0.00315877"
                           y3="6.31624"
                           yFract="0.74836967"
                           z3="6.48047"
                           zFract="0.29165032"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0737"
                           xFract="0.24569905"
                           y3="4.23177"
                           yFract="0.50139455"
                           z3="6.34121"
                           zFract="0.28538299"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36967"
                           xFract="0.99166706"
                           y3="4.31395"
                           yFract="0.51113152"
                           z3="4.16372"
                           zFract="0.18738614"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24419"
                           xFract="0.97679976"
                           y3="4.10254"
                           yFract="0.48608294"
                           z3="9.20396"
                           zFract="0.41421962"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14854"
                           xFract="0.25456635"
                           y3="6.27114"
                           yFract="0.74302607"
                           z3="4.21791"
                           zFract="0.18982493"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14534"
                           xFract="0.2541872"
                           y3="6.24894"
                           yFract="0.74039573"
                           z3="8.54828"
                           zFract="0.38471107"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20507"
                           xFract="0.49823104"
                           y3="6.34818"
                           yFract="0.75215403"
                           z3="6.25021"
                           zFract="0.28128758"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43253"
                           xFract="0.7621481"
                           y3="4.22081"
                           yFract="0.50009597"
                           z3="6.50341"
                           zFract="0.29268272"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29963"
                           xFract="0.50943483"
                           y3="4.22081"
                           yFract="0.50009597"
                           z3="4.24237"
                           zFract="0.19092574"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.26995"
                           xFract="0.50591825"
                           y3="4.13194"
                           yFract="0.48956635"
                           z3="8.54926"
                           zFract="0.38475518"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27375"
                           xFract="0.74333531"
                           y3="6.31579"
                           yFract="0.74831635"
                           z3="4.21742"
                           zFract="0.18980288"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28159"
                           xFract="0.74426422"
                           y3="6.35365"
                           yFract="0.75280213"
                           z3="8.63765"
                           zFract="0.38873312"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.01061"
                           xFract="-0.00125711"
                           y3="4.23252"
                           yFract="0.50148341"
                           z3="10.15428"
                           zFract="0.4569883"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20195"
                           xFract="0.49786137"
                           y3="2.10103"
                           yFract="0.2489372"
                           z3="8.50576"
                           zFract="0.38279748"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.17918"
                           xFract="0.49516351"
                           y3="8.42294"
                           yFract="0.99797867"
                           z3="6.38765"
                           zFract="0.287473"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22507"
                           xFract="0.50060071"
                           y3="6.34131"
                           yFract="0.75134005"
                           z3="4.23915"
                           zFract="0.19078083"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32873"
                           xFract="0.74984953"
                           y3="4.22423"
                           yFract="0.50050118"
                           z3="4.19993"
                           zFract="0.18901575"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03467"
                           xFract="0.00410782"
                           y3="0.00383"
                           yFract="0.00045379"
                           z3="6.42888"
                           zFract="0.28932853"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11174"
                           xFract="0.25020616"
                           y3="2.10557"
                           yFract="0.24947512"
                           z3="6.41919"
                           zFract="0.28889244"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03956"
                           xFract="0.0046872"
                           y3="2.04222"
                           yFract="0.24196919"
                           z3="8.57188"
                           zFract="0.38577318"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13968"
                           xFract="0.25351659"
                           y3="6.33791"
                           yFract="0.7509372"
                           z3="6.39087"
                           zFract="0.28761791"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33406"
                           xFract="0.75048104"
                           y3="8.43299"
                           yFract="0.99916943"
                           z3="4.24559"
                           zFract="0.19107066"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25464"
                           xFract="0.74107109"
                           y3="4.21872"
                           yFract="0.49984834"
                           z3="8.56288"
                           zFract="0.38536814"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10483"
                           xFract="0.24938744"
                           y3="0.01372"
                           yFract="0.00162559"
                           z3="4.22475"
                           zFract="0.19013276"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18461"
                           xFract="0.49580687"
                           y3="6.33037"
                           yFract="0.75004384"
                           z3="8.68649"
                           zFract="0.39093114"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13263"
                           xFract="0.25268128"
                           y3="0.00912"
                           yFract="0.00108057"
                           z3="8.65015"
                           zFract="0.38929568"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02126"
                           xFract="0.00251896"
                           y3="2.07168"
                           yFract="0.24545972"
                           z3="4.23804"
                           zFract="0.19073087"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20232"
                           xFract="0.26093839"
                           y3="4.22588"
                           yFract="0.50069668"
                           z3="8.63984"
                           zFract="0.38883168"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04677"
                           xFract="0.00554147"
                           y3="6.43196"
                           yFract="0.76208057"
                           z3="8.53822"
                           zFract="0.38425833"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20123"
                           xFract="0.49777607"
                           y3="4.2463"
                           yFract="0.50311611"
                           z3="6.41146"
                           zFract="0.28854455"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21328"
                           xFract="0.49920379"
                           y3="2.09012"
                           yFract="0.24764455"
                           z3="4.23818"
                           zFract="0.19073717"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26579"
                           xFract="0.74239218"
                           y3="8.42648"
                           yFract="0.9983981"
                           z3="8.50671"
                           zFract="0.38284023"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34337"
                           xFract="0.75158412"
                           y3="2.10023"
                           yFract="0.24884242"
                           z3="6.41039"
                           zFract="0.2884964"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29766"
                           xFract="0.74616825"
                           y3="6.32788"
                           yFract="0.74974882"
                           z3="6.42053"
                           zFract="0.28895275"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03015"
                           xFract="0.00357227"
                           y3="4.19656"
                           yFract="0.49722275"
                           z3="6.1996"
                           zFract="0.2790099"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13785"
                           xFract="0.25329976"
                           y3="4.22159"
                           yFract="0.50018839"
                           z3="4.2374"
                           zFract="0.19070207"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00186"
                           xFract="-0.00022038"
                           y3="6.35961"
                           yFract="0.75350829"
                           z3="4.25427"
                           zFract="0.1914613"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02946"
                           xFract="0.00349052"
                           y3="2.12968"
                           yFract="0.25233175"
                           z3="6.54351"
                           zFract="0.2944874"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10114"
                           xFract="0.24895024"
                           y3="8.43536"
                           yFract="0.99945024"
                           z3="6.22429"
                           zFract="0.28012106"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.3735"
                           xFract="0.99212085"
                           y3="8.36682"
                           yFract="0.99132938"
                           z3="4.32194"
                           zFract="0.19450675"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07791"
                           xFract="0.00923104"
                           y3="0.02088"
                           yFract="0.00247393"
                           z3="8.61163"
                           zFract="0.38756211"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08527"
                           xFract="0.24706991"
                           y3="2.18649"
                           yFract="0.2590628"
                           z3="4.32256"
                           zFract="0.19453465"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1629"
                           xFract="0.25626777"
                           y3="2.19286"
                           yFract="0.25981754"
                           z3="8.54431"
                           zFract="0.3845324"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2052"
                           xFract="0.49824645"
                           y3="2.09014"
                           yFract="0.24764692"
                           z3="6.41553"
                           zFract="0.28872772"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33992"
                           xFract="0.75117536"
                           y3="8.42928"
                           yFract="0.99872986"
                           z3="6.36722"
                           zFract="0.28655356"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27763"
                           xFract="0.5068282"
                           y3="8.43039"
                           yFract="0.99886137"
                           z3="4.22359"
                           zFract="0.19008056"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13117"
                           xFract="0.48947512"
                           y3="0.07196"
                           yFract="0.00852607"
                           z3="8.48539"
                           zFract="0.38188074"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37309"
                           xFract="0.75510545"
                           y3="2.11585"
                           yFract="0.25069313"
                           z3="4.23605"
                           zFract="0.19064131"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26385"
                           xFract="0.74216232"
                           y3="2.05717"
                           yFract="0.24374052"
                           z3="8.60781"
                           zFract="0.38739019"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02649"
                           xFract="0.00313863"
                           y3="6.31634"
                           yFract="0.74838152"
                           z3="6.48039"
                           zFract="0.29164671"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07361"
                           xFract="0.24568839"
                           y3="4.23163"
                           yFract="0.50137796"
                           z3="6.34119"
                           zFract="0.28538209"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36953"
                           xFract="0.99165047"
                           y3="4.31383"
                           yFract="0.5111173"
                           z3="4.16338"
                           zFract="0.18737084"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24408"
                           xFract="0.97678673"
                           y3="4.10267"
                           yFract="0.48609834"
                           z3="9.20509"
                           zFract="0.41427048"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14847"
                           xFract="0.25455806"
                           y3="6.27092"
                           yFract="0.7430"
                           z3="4.21801"
                           zFract="0.18982943"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1458"
                           xFract="0.25424171"
                           y3="6.2488"
                           yFract="0.74037915"
                           z3="8.5480"
                           zFract="0.38469847"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20515"
                           xFract="0.49824052"
                           y3="6.34809"
                           yFract="0.75214336"
                           z3="6.25019"
                           zFract="0.28128668"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43247"
                           xFract="0.762141"
                           y3="4.22075"
                           yFract="0.50008886"
                           z3="6.50326"
                           zFract="0.29267597"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29989"
                           xFract="0.50946564"
                           y3="4.22062"
                           yFract="0.50007346"
                           z3="4.24223"
                           zFract="0.19091944"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27063"
                           xFract="0.50599882"
                           y3="4.13207"
                           yFract="0.48958175"
                           z3="8.54895"
                           zFract="0.38474122"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27365"
                           xFract="0.74332346"
                           y3="6.31583"
                           yFract="0.74832109"
                           z3="4.21777"
                           zFract="0.18981863"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28156"
                           xFract="0.74426066"
                           y3="6.3531"
                           yFract="0.75273697"
                           z3="8.63733"
                           zFract="0.38871872"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.01024"
                           xFract="-0.00121327"
                           y3="4.23275"
                           yFract="0.50151066"
                           z3="10.15415"
                           zFract="0.45698245"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20185"
                           xFract="0.49784953"
                           y3="2.10097"
                           yFract="0.24893009"
                           z3="8.5059"
                           zFract="0.38280378"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.1791"
                           xFract="0.49515403"
                           y3="8.42297"
                           yFract="0.99798223"
                           z3="6.38751"
                           zFract="0.2874667"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22507"
                           xFract="0.50060071"
                           y3="6.34138"
                           yFract="0.75134834"
                           z3="4.23904"
                           zFract="0.19077588"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.3289"
                           xFract="0.74986967"
                           y3="4.22422"
                           yFract="0.5005"
                           z3="4.19984"
                           zFract="0.1890117"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03463"
                           xFract="0.00410308"
                           y3="0.00381"
                           yFract="0.00045142"
                           z3="6.4288"
                           zFract="0.28932493"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11181"
                           xFract="0.25021445"
                           y3="2.10555"
                           yFract="0.24947275"
                           z3="6.41929"
                           zFract="0.28889694"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.03952"
                           xFract="0.00468246"
                           y3="2.04234"
                           yFract="0.24198341"
                           z3="8.57156"
                           zFract="0.38575878"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13982"
                           xFract="0.25353318"
                           y3="6.33792"
                           yFract="0.75093839"
                           z3="6.39103"
                           zFract="0.28762511"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33398"
                           xFract="0.75047156"
                           y3="8.43297"
                           yFract="0.99916706"
                           z3="4.24537"
                           zFract="0.19106076"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.25444"
                           xFract="0.74104739"
                           y3="4.21884"
                           yFract="0.49986256"
                           z3="8.56298"
                           zFract="0.38537264"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10469"
                           xFract="0.24937085"
                           y3="0.01371"
                           yFract="0.00162441"
                           z3="4.22457"
                           zFract="0.19012466"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18447"
                           xFract="0.49579028"
                           y3="6.33051"
                           yFract="0.75006043"
                           z3="8.68629"
                           zFract="0.39092214"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13258"
                           xFract="0.25267536"
                           y3="0.00897"
                           yFract="0.0010628"
                           z3="8.65005"
                           zFract="0.38929118"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0212"
                           xFract="0.00251185"
                           y3="2.07163"
                           yFract="0.24545379"
                           z3="4.23792"
                           zFract="0.19072547"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20231"
                           xFract="0.2609372"
                           y3="4.22601"
                           yFract="0.50071209"
                           z3="8.63974"
                           zFract="0.38882718"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04669"
                           xFract="0.00553199"
                           y3="6.43219"
                           yFract="0.76210782"
                           z3="8.53835"
                           zFract="0.38426418"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.20114"
                           xFract="0.4977654"
                           y3="4.24625"
                           yFract="0.50311019"
                           z3="6.41138"
                           zFract="0.28854095"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.2133"
                           xFract="0.49920616"
                           y3="2.09005"
                           yFract="0.24763626"
                           z3="4.23801"
                           zFract="0.19072952"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26559"
                           xFract="0.74236848"
                           y3="8.42651"
                           yFract="0.99840166"
                           z3="8.50657"
                           zFract="0.38283393"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34341"
                           xFract="0.75158886"
                           y3="2.10023"
                           yFract="0.24884242"
                           z3="6.41024"
                           zFract="0.28848965"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29753"
                           xFract="0.74615284"
                           y3="6.32786"
                           yFract="0.74974645"
                           z3="6.42037"
                           zFract="0.28894554"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03032"
                           xFract="0.00359242"
                           y3="4.19651"
                           yFract="0.49721682"
                           z3="6.19923"
                           zFract="0.27899325"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13766"
                           xFract="0.25327725"
                           y3="4.22164"
                           yFract="0.50019431"
                           z3="4.23731"
                           zFract="0.19069802"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00181"
                           xFract="-0.00021445"
                           y3="6.35946"
                           yFract="0.75349052"
                           z3="4.25402"
                           zFract="0.19145005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0294"
                           xFract="0.00348341"
                           y3="2.12954"
                           yFract="0.25231517"
                           z3="6.54347"
                           zFract="0.2944856"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10099"
                           xFract="0.24893246"
                           y3="8.4354"
                           yFract="0.99945498"
                           z3="6.2242"
                           zFract="0.28011701"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37373"
                           xFract="0.9921481"
                           y3="8.36708"
                           yFract="0.99136019"
                           z3="4.3219"
                           zFract="0.19450495"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07786"
                           xFract="0.00922512"
                           y3="0.02066"
                           yFract="0.00244787"
                           z3="8.61156"
                           zFract="0.38755896"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08511"
                           xFract="0.24705095"
                           y3="2.18665"
                           yFract="0.25908175"
                           z3="4.32245"
                           zFract="0.1945297"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16286"
                           xFract="0.25626303"
                           y3="2.19299"
                           yFract="0.25983294"
                           z3="8.54407"
                           zFract="0.3845216"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20526"
                           xFract="0.49825355"
                           y3="2.09005"
                           yFract="0.24763626"
                           z3="6.4156"
                           zFract="0.28873087"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33983"
                           xFract="0.75116469"
                           y3="8.42934"
                           yFract="0.99873697"
                           z3="6.36714"
                           zFract="0.28654995"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27755"
                           xFract="0.50681872"
                           y3="8.43043"
                           yFract="0.99886611"
                           z3="4.22342"
                           zFract="0.19007291"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.13153"
                           xFract="0.48951777"
                           y3="0.07196"
                           yFract="0.00852607"
                           z3="8.4852"
                           zFract="0.38187219"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37331"
                           xFract="0.75513152"
                           y3="2.11588"
                           yFract="0.25069668"
                           z3="4.23612"
                           zFract="0.19064446"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26414"
                           xFract="0.74219668"
                           y3="2.05726"
                           yFract="0.24375118"
                           z3="8.60757"
                           zFract="0.38737939"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02638"
                           xFract="0.00312559"
                           y3="6.3164"
                           yFract="0.74838863"
                           z3="6.48034"
                           zFract="0.29164446"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07356"
                           xFract="0.24568246"
                           y3="4.23155"
                           yFract="0.50136848"
                           z3="6.34119"
                           zFract="0.28538209"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36944"
                           xFract="0.99163981"
                           y3="4.31376"
                           yFract="0.511109"
                           z3="4.16317"
                           zFract="0.18736139"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24401"
                           xFract="0.97677844"
                           y3="4.10276"
                           yFract="0.486109"
                           z3="9.20581"
                           zFract="0.41430288"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14842"
                           xFract="0.25455213"
                           y3="6.27078"
                           yFract="0.74298341"
                           z3="4.21807"
                           zFract="0.18983213"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14609"
                           xFract="0.25427607"
                           y3="6.24872"
                           yFract="0.74036967"
                           z3="8.54782"
                           zFract="0.38469037"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2052"
                           xFract="0.49824645"
                           y3="6.34804"
                           yFract="0.75213744"
                           z3="6.25018"
                           zFract="0.28128623"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43243"
                           xFract="0.76213626"
                           y3="4.22071"
                           yFract="0.50008412"
                           z3="6.50317"
                           zFract="0.29267192"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.30006"
                           xFract="0.50948578"
                           y3="4.2205"
                           yFract="0.50005924"
                           z3="4.24214"
                           zFract="0.19091539"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27106"
                           xFract="0.50604976"
                           y3="4.13214"
                           yFract="0.48959005"
                           z3="8.54875"
                           zFract="0.38473222"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27359"
                           xFract="0.74331635"
                           y3="6.31586"
                           yFract="0.74832464"
                           z3="4.21798"
                           zFract="0.18982808"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28154"
                           xFract="0.74425829"
                           y3="6.35275"
                           yFract="0.7526955"
                           z3="8.63713"
                           zFract="0.38870972"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="-0.01045"
                           xFract="-0.00123815"
                           y3="4.23263"
                           yFract="0.50149645"
                           z3="10.15418"
                           zFract="0.4569838"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.20172"
                           xFract="0.49783412"
                           y3="2.10091"
                           yFract="0.24892299"
                           z3="8.50597"
                           zFract="0.38280693"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.1791"
                           xFract="0.49515403"
                           y3="8.42295"
                           yFract="0.99797986"
                           z3="6.38758"
                           zFract="0.28746985"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="4.22509"
                           xFract="0.50060308"
                           y3="6.34142"
                           yFract="0.75135308"
                           z3="4.23901"
                           zFract="0.19077453"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="6.32897"
                           xFract="0.74987796"
                           y3="4.22422"
                           yFract="0.5005"
                           z3="4.19982"
                           zFract="0.1890108"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="0.03468"
                           xFract="0.004109"
                           y3="0.00386"
                           yFract="0.00045735"
                           z3="6.42884"
                           zFract="0.28932673"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="2.11179"
                           xFract="0.25021209"
                           y3="2.10558"
                           yFract="0.2494763"
                           z3="6.41935"
                           zFract="0.28889964"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="0.0396"
                           xFract="0.00469194"
                           y3="2.04232"
                           yFract="0.24198104"
                           z3="8.57161"
                           zFract="0.38576103"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13986"
                           xFract="0.25353791"
                           y3="6.33792"
                           yFract="0.75093839"
                           z3="6.39104"
                           zFract="0.28762556"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="6.33391"
                           xFract="0.75046327"
                           y3="8.43298"
                           yFract="0.99916825"
                           z3="4.24538"
                           zFract="0.19106121"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="6.2542"
                           xFract="0.74101896"
                           y3="4.21882"
                           yFract="0.49986019"
                           z3="8.56297"
                           zFract="0.38537219"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10473"
                           xFract="0.24937559"
                           y3="0.0137"
                           yFract="0.00162322"
                           z3="4.22459"
                           zFract="0.19012556"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="4.18437"
                           xFract="0.49577844"
                           y3="6.33048"
                           yFract="0.75005687"
                           z3="8.68638"
                           zFract="0.39092619"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13251"
                           xFract="0.25266706"
                           y3="0.0090"
                           yFract="0.00106635"
                           z3="8.65012"
                           zFract="0.38929433"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.02119"
                           xFract="0.00251066"
                           y3="2.07165"
                           yFract="0.24545616"
                           z3="4.23795"
                           zFract="0.19072682"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="2.20224"
                           xFract="0.26092891"
                           y3="4.2260"
                           yFract="0.5007109"
                           z3="8.63983"
                           zFract="0.38883123"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.04679"
                           xFract="0.00554384"
                           y3="6.43225"
                           yFract="0.76211493"
                           z3="8.53838"
                           zFract="0.38426553"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2011"
                           xFract="0.49776066"
                           y3="4.24631"
                           yFract="0.5031173"
                           z3="6.41144"
                           zFract="0.28854365"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21331"
                           xFract="0.49920735"
                           y3="2.09002"
                           yFract="0.2476327"
                           z3="4.23803"
                           zFract="0.19073042"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.26562"
                           xFract="0.74237204"
                           y3="8.42653"
                           yFract="0.99840403"
                           z3="8.50667"
                           zFract="0.38283843"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.34342"
                           xFract="0.75159005"
                           y3="2.10017"
                           yFract="0.24883531"
                           z3="6.41026"
                           zFract="0.28849055"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.29751"
                           xFract="0.74615047"
                           y3="6.32791"
                           yFract="0.74975237"
                           z3="6.4204"
                           zFract="0.28894689"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.03041"
                           xFract="0.00360308"
                           y3="4.19651"
                           yFract="0.49721682"
                           z3="6.19923"
                           zFract="0.27899325"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.13763"
                           xFract="0.2532737"
                           y3="4.22165"
                           yFract="0.5001955"
                           z3="4.23734"
                           zFract="0.19069937"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="-0.00182"
                           xFract="-0.00021564"
                           y3="6.35934"
                           yFract="0.7534763"
                           z3="4.25403"
                           zFract="0.1914505"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02933"
                           xFract="0.00347512"
                           y3="2.12955"
                           yFract="0.25231635"
                           z3="6.54359"
                           zFract="0.294491"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.10098"
                           xFract="0.24893128"
                           y3="8.43541"
                           yFract="0.99945616"
                           z3="6.22425"
                           zFract="0.28011926"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="8.37371"
                           xFract="0.99214573"
                           y3="8.36717"
                           yFract="0.99137085"
                           z3="4.32196"
                           zFract="0.19450765"/>
                     <atom elementType="O"
                           id="a48"
                           x3="0.07787"
                           xFract="0.0092263"
                           y3="0.0206"
                           yFract="0.00244076"
                           z3="8.61161"
                           zFract="0.38756121"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.08514"
                           xFract="0.2470545"
                           y3="2.18655"
                           yFract="0.25906991"
                           z3="4.3225"
                           zFract="0.19453195"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.16289"
                           xFract="0.25626659"
                           y3="2.19295"
                           yFract="0.2598282"
                           z3="8.54412"
                           zFract="0.38452385"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2053"
                           xFract="0.49825829"
                           y3="2.0901"
                           yFract="0.24764218"
                           z3="6.41563"
                           zFract="0.28873222"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.33988"
                           xFract="0.75117062"
                           y3="8.42935"
                           yFract="0.99873815"
                           z3="6.36726"
                           zFract="0.28655536"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.27764"
                           xFract="0.50682938"
                           y3="8.4304"
                           yFract="0.99886256"
                           z3="4.22347"
                           zFract="0.19007516"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.1316"
                           xFract="0.48952607"
                           y3="0.07199"
                           yFract="0.00852962"
                           z3="8.48523"
                           zFract="0.38187354"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.37327"
                           xFract="0.75512678"
                           y3="2.1159"
                           yFract="0.25069905"
                           z3="4.23618"
                           zFract="0.19064716"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.26412"
                           xFract="0.74219431"
                           y3="2.05725"
                           yFract="0.24375"
                           z3="8.60767"
                           zFract="0.38738389"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="0.02634"
                           xFract="0.00312085"
                           y3="6.31641"
                           yFract="0.74838981"
                           z3="6.48041"
                           zFract="0.29164761"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07355"
                           xFract="0.24568128"
                           y3="4.23156"
                           yFract="0.50136967"
                           z3="6.34117"
                           zFract="0.28538119"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="8.36945"
                           xFract="0.991641"
                           y3="4.31378"
                           yFract="0.51111137"
                           z3="4.16329"
                           zFract="0.18736679"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.24396"
                           xFract="0.97677251"
                           y3="4.10265"
                           yFract="0.48609597"
                           z3="9.20563"
                           zFract="0.41429478"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.14844"
                           xFract="0.2545545"
                           y3="6.27085"
                           yFract="0.74299171"
                           z3="4.21808"
                           zFract="0.18983258"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14604"
                           xFract="0.25427014"
                           y3="6.24872"
                           yFract="0.74036967"
                           z3="8.54788"
                           zFract="0.38469307"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.20528"
                           xFract="0.49825592"
                           y3="6.34803"
                           yFract="0.75213626"
                           z3="6.25025"
                           zFract="0.28128938"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.43235"
                           xFract="0.76212678"
                           y3="4.22074"
                           yFract="0.50008768"
                           z3="6.50332"
                           zFract="0.29267867"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.29999"
                           xFract="0.50947749"
                           y3="4.22054"
                           yFract="0.50006398"
                           z3="4.24217"
                           zFract="0.19091674"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.27132"
                           xFract="0.50608057"
                           y3="4.13216"
                           yFract="0.48959242"
                           z3="8.5488"
                           zFract="0.38473447"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.27355"
                           xFract="0.74331161"
                           y3="6.31581"
                           yFract="0.74831872"
                           z3="4.21803"
                           zFract="0.18983033"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.28161"
                           xFract="0.74426659"
                           y3="6.35272"
                           yFract="0.75269194"
                           z3="8.63722"
                           zFract="0.38871377"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a69" order="S"/>
                     <bond atomRefs2="a2 a62" order="S"/>
                     <bond atomRefs2="a2 a66" order="S"/>
                     <bond atomRefs2="a3 a69" order="S"/>
                     <bond atomRefs2="a3 a64" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a80" order="S"/>
                     <bond atomRefs2="a4 a79" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a5 a74" order="S"/>
                     <bond atomRefs2="a5 a60" order="S"/>
                     <bond atomRefs2="a5 a54" order="S"/>
                     <bond atomRefs2="a5 a59" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a78" order="S"/>
                     <bond atomRefs2="a6 a53" order="S"/>
                     <bond atomRefs2="a6 a61" order="S"/>
                     <bond atomRefs2="a6 a58" order="S"/>
                     <bond atomRefs2="a6 a51" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a73" order="S"/>
                     <bond atomRefs2="a8 a72" order="S"/>
                     <bond atomRefs2="a8 a79" order="S"/>
                     <bond atomRefs2="a8 a76" order="S"/>
                     <bond atomRefs2="a8 a69" order="S"/>
                     <bond atomRefs2="a9 a77" order="S"/>
                     <bond atomRefs2="a9 a80" order="S"/>
                     <bond atomRefs2="a9 a57" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a9 a73" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a10 a74" order="S"/>
                     <bond atomRefs2="a10 a77" order="S"/>
                     <bond atomRefs2="a10 a80" order="S"/>
                     <bond atomRefs2="a10 a67" order="S"/>
                     <bond atomRefs2="a10 a60" order="S"/>
                     <bond atomRefs2="a11 a43" order="S"/>
                     <bond atomRefs2="a12 a50" order="S"/>
                     <bond atomRefs2="a12 a51" order="S"/>
                     <bond atomRefs2="a12 a43" order="S"/>
                     <bond atomRefs2="a12 a13" order="S"/>
                     <bond atomRefs2="a12 a39" order="S"/>
                     <bond atomRefs2="a12 a65" order="S"/>
                     <bond atomRefs2="a12 a53" order="S"/>
                     <bond atomRefs2="a13 a48" order="S"/>
                     <bond atomRefs2="a13 a43" order="S"/>
                     <bond atomRefs2="a13 a51" order="S"/>
                     <bond atomRefs2="a14 a56" order="S"/>
                     <bond atomRefs2="a14 a52" order="S"/>
                     <bond atomRefs2="a14 a54" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a14 a16" order="S"/>
                     <bond atomRefs2="a15 a45" order="S"/>
                     <bond atomRefs2="a15 a71" order="S"/>
                     <bond atomRefs2="a15 a63" order="S"/>
                     <bond atomRefs2="a15 a65" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a33" order="S"/>
                     <bond atomRefs2="a15 a73" order="S"/>
                     <bond atomRefs2="a16 a49" order="S"/>
                     <bond atomRefs2="a16 a44" order="S"/>
                     <bond atomRefs2="a16 a46" order="S"/>
                     <bond atomRefs2="a16 a56" order="S"/>
                     <bond atomRefs2="a17 a55" order="S"/>
                     <bond atomRefs2="a17 a47" order="S"/>
                     <bond atomRefs2="a17 a80" order="S"/>
                     <bond atomRefs2="a17 a57" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a62" order="S"/>
                     <bond atomRefs2="a18 a64" order="S"/>
                     <bond atomRefs2="a18 a21" order="S"/>
                     <bond atomRefs2="a18 a42" order="S"/>
                     <bond atomRefs2="a19 a68" order="S"/>
                     <bond atomRefs2="a19 a61" order="S"/>
                     <bond atomRefs2="a19 a78" order="S"/>
                     <bond atomRefs2="a19 a81" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a20 a74" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a52" order="S"/>
                     <bond atomRefs2="a20 a76" order="S"/>
                     <bond atomRefs2="a20 a64" order="S"/>
                     <bond atomRefs2="a20 a21" order="S"/>
                     <bond atomRefs2="a21 a69" order="S"/>
                     <bond atomRefs2="a21 a70" order="S"/>
                     <bond atomRefs2="a21 a64" order="S"/>
                     <bond atomRefs2="a21 a62" order="S"/>
                     <bond atomRefs2="a21 a72" order="S"/>
                     <bond atomRefs2="a22 a50" order="S"/>
                     <bond atomRefs2="a22 a44" order="S"/>
                     <bond atomRefs2="a23 a42" order="S"/>
                     <bond atomRefs2="a23 a46" order="S"/>
                     <bond atomRefs2="a23 a49" order="S"/>
                     <bond atomRefs2="a23 a66" order="S"/>
                     <bond atomRefs2="a24 a54" order="S"/>
                     <bond atomRefs2="a24 a59" order="S"/>
                     <bond atomRefs2="a24 a56" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a42" order="S"/>
                     <bond atomRefs2="a25 a64" order="S"/>
                     <bond atomRefs2="a25 a52" order="S"/>
                     <bond atomRefs2="a26 a74" order="S"/>
                     <bond atomRefs2="a26 a79" order="S"/>
                     <bond atomRefs2="a26 a59" order="S"/>
                     <bond atomRefs2="a26 a76" order="S"/>
                     <bond atomRefs2="a27 a81" order="S"/>
                     <bond atomRefs2="a27 a71" order="S"/>
                     <bond atomRefs2="a28 a52" order="S"/>
                     <bond atomRefs2="a28 a76" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a49" order="S"/>
                     <bond atomRefs2="a29 a48" order="S"/>
                     <bond atomRefs2="a29 a58" order="S"/>
                     <bond atomRefs2="a30 a50" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a71" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a31 a78" order="S"/>
                     <bond atomRefs2="a32 a63" order="S"/>
                     <bond atomRefs2="a32 a71" order="S"/>
                     <bond atomRefs2="a33 a77" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a33 a75" order="S"/>
                     <bond atomRefs2="a33 a78" order="S"/>
                     <bond atomRefs2="a33 a53" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a34 a53" order="S"/>
                     <bond atomRefs2="a34 a60" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a77" order="S"/>
                     <bond atomRefs2="a34 a50" order="S"/>
                     <bond atomRefs2="a35 a81" order="S"/>
                     <bond atomRefs2="a35 a55" order="S"/>
                     <bond atomRefs2="a36 a46" order="S"/>
                     <bond atomRefs2="a36 a42" order="S"/>
                     <bond atomRefs2="a36 a44" order="S"/>
                     <bond atomRefs2="a37 a60" order="S"/>
                     <bond atomRefs2="a37 a61" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a75" order="S"/>
                     <bond atomRefs2="a38 a55" order="S"/>
                     <bond atomRefs2="a38 a75" order="S"/>
                     <bond atomRefs2="a38 a81" order="S"/>
                     <bond atomRefs2="a38 a73" order="S"/>
                     <bond atomRefs2="a38 a80" order="S"/>
                     <bond atomRefs2="a39 a43" order="S"/>
                     <bond atomRefs2="a39 a63" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a65" order="S"/>
                     <bond atomRefs2="a40 a50" order="S"/>
                     <bond atomRefs2="a40 a77" order="S"/>
                     <bond atomRefs2="a41 a63" order="S"/>
                     <bond atomRefs2="a41 a62" order="S"/>
                     <bond atomRefs2="a41 a70" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 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 0.014 0.009 0.004 0.007 0.007 0.003 0.018 0.002 0.002 0.005 -0.001 0.001 0.000 -0.001 0.001 0.001 -0.000 0.001 -0.000 0.001 -0.001 0.005 0.000 0.004 -0.002 0.005 0.003 -0.005 0.001 0.014 -0.004 0.004 0.007 -0.000 0.001 0.000 -0.000 0.005 0.003 0.003 -0.000 0.003 0.001 0.014 -0.002 0.006 0.006 0.002 -0.002 0.004 0.001 0.010 0.010 0.009 -0.002 0.011 0.008 0.001 0.007 0.002 0.010 0.004 0.003 0.002 0.002 0.004 0.002 0.010 0.006 -0.000 0.014 0.009 0.011 0.004 0.001 0.009 0.005 0.010 0.013 -0.001</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="81">0.000 0.013 0.006 0.004 0.005 0.007 0.005 0.012 0.005 -0.000 0.006 -0.001 0.001 0.001 -0.001 0.001 0.003 -0.000 0.003 -0.000 0.000 -0.000 -0.001 0.001 0.005 0.003 0.005 0.003 0.001 -0.001 0.005 -0.003 0.005 0.005 0.003 0.002 0.001 0.001 0.007 0.010 0.007 -0.141 0.031 0.007 0.232 -0.052 0.080 0.090 -0.095 -0.021 0.095 -0.049 0.154 0.074 0.103 -0.047 0.141 0.101 -0.060 0.067 0.031 0.149 0.051 0.044 0.032 -0.021 0.039 0.014 0.091 0.074 0.034 0.138 0.129 0.104 0.049 -0.014 0.098 0.037 0.081 0.155 -0.016</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="81">0.000 1.277 1.225 1.432 1.189 1.089 1.536 1.299 1.363 1.391 1.527 -0.001 -0.000 0.000 -0.000 0.000 0.001 -0.000 0.001 -0.000 -0.000 0.505 -0.373 -0.423 -0.479 -0.306 -0.284 -0.332 0.374 -0.421 0.292 -0.002 0.008 0.004 0.006 0.005 0.003 0.003 0.008 0.018 0.008 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 1.304 1.240 1.440 1.201 1.104 1.544 1.329 1.369 1.392 1.537 -0.003 0.002 0.002 -0.002 0.002 0.005 -0.001 0.005 -0.001 0.001 0.504 -0.370 -0.422 -0.470 -0.305 -0.274 -0.325 0.370 -0.420 0.311 -0.010 0.017 0.015 0.009 0.008 0.004 0.004 0.019 0.032 0.018 -0.141 0.034 0.008 0.246 -0.054 0.086 0.096 -0.093 -0.023 0.099 -0.049 0.164 0.084 0.112 -0.049 0.152 0.109 -0.059 0.074 0.033 0.158 0.056 0.048 0.034 -0.019 0.043 0.017 0.101 0.080 0.033 0.152 0.139 0.115 0.053 -0.013 0.107 0.042 0.092 0.168 -0.017</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.322</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.141</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">11.941</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">14.404</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-426.82338878</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-426.82130436</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-426.82234657</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.4719</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1033499E-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="-0.01045"
                        xFract="-0.00123815"
                        y3="4.23263"
                        yFract="0.50149645"
                        z3="10.15418"
                        zFract="0.4569838"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.20172"
                        xFract="0.49783412"
                        y3="2.10091"
                        yFract="0.24892299"
                        z3="8.50597"
                        zFract="0.38280693"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.1791"
                        xFract="0.49515403"
                        y3="8.42295"
                        yFract="0.99797986"
                        z3="6.38758"
                        zFract="0.28746985"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="4.22509"
                        xFract="0.50060308"
                        y3="6.34142"
                        yFract="0.75135308"
                        z3="4.23901"
                        zFract="0.19077453"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="6.32897"
                        xFract="0.74987796"
                        y3="4.22422"
                        yFract="0.5005"
                        z3="4.19982"
                        zFract="0.1890108"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="0.03468"
                        xFract="0.004109"
                        y3="0.00386"
                        yFract="0.00045735"
                        z3="6.42884"
                        zFract="0.28932673"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="2.11179"
                        xFract="0.25021209"
                        y3="2.10558"
                        yFract="0.2494763"
                        z3="6.41935"
                        zFract="0.28889964"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.0396"
                        xFract="0.00469194"
                        y3="2.04232"
                        yFract="0.24198104"
                        z3="8.57161"
                        zFract="0.38576103"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.13986"
                        xFract="0.25353791"
                        y3="6.33792"
                        yFract="0.75093839"
                        z3="6.39104"
                        zFract="0.28762556"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="6.33391"
                        xFract="0.75046327"
                        y3="8.43298"
                        yFract="0.99916825"
                        z3="4.24538"
                        zFract="0.19106121"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="6.2542"
                        xFract="0.74101896"
                        y3="4.21882"
                        yFract="0.49986019"
                        z3="8.56297"
                        zFract="0.38537219"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.10473"
                        xFract="0.24937559"
                        y3="0.0137"
                        yFract="0.00162322"
                        z3="4.22459"
                        zFract="0.19012556"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.18437"
                        xFract="0.49577844"
                        y3="6.33048"
                        yFract="0.75005687"
                        z3="8.68638"
                        zFract="0.39092619"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.13251"
                        xFract="0.25266706"
                        y3="0.0090"
                        yFract="0.00106635"
                        z3="8.65012"
                        zFract="0.38929433"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.02119"
                        xFract="0.00251066"
                        y3="2.07165"
                        yFract="0.24545616"
                        z3="4.23795"
                        zFract="0.19072682"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="2.20224"
                        xFract="0.26092891"
                        y3="4.2260"
                        yFract="0.5007109"
                        z3="8.63983"
                        zFract="0.38883123"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.04679"
                        xFract="0.00554384"
                        y3="6.43225"
                        yFract="0.76211493"
                        z3="8.53838"
                        zFract="0.38426553"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.2011"
                        xFract="0.49776066"
                        y3="4.24631"
                        yFract="0.5031173"
                        z3="6.41144"
                        zFract="0.28854365"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.21331"
                        xFract="0.49920735"
                        y3="2.09002"
                        yFract="0.2476327"
                        z3="4.23803"
                        zFract="0.19073042"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="6.26562"
                        xFract="0.74237204"
                        y3="8.42653"
                        yFract="0.99840403"
                        z3="8.50667"
                        zFract="0.38283843"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.34342"
                        xFract="0.75159005"
                        y3="2.10017"
                        yFract="0.24883531"
                        z3="6.41026"
                        zFract="0.28849055"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.29751"
                        xFract="0.74615047"
                        y3="6.32791"
                        yFract="0.74975237"
                        z3="6.4204"
                        zFract="0.28894689"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="0.03041"
                        xFract="0.00360308"
                        y3="4.19651"
                        yFract="0.49721682"
                        z3="6.19923"
                        zFract="0.27899325"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="2.13763"
                        xFract="0.2532737"
                        y3="4.22165"
                        yFract="0.5001955"
                        z3="4.23734"
                        zFract="0.19069937"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="-0.00182"
                        xFract="-0.00021564"
                        y3="6.35934"
                        yFract="0.7534763"
                        z3="4.25403"
                        zFract="0.1914505"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.02933"
                        xFract="0.00347512"
                        y3="2.12955"
                        yFract="0.25231635"
                        z3="6.54359"
                        zFract="0.294491"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a45"
                        x3="2.10098"
                        xFract="0.24893128"
                        y3="8.43541"
                        yFract="0.99945616"
                        z3="6.22425"
                        zFract="0.28011926"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="8.37371"
                        xFract="0.99214573"
                        y3="8.36717"
                        yFract="0.99137085"
                        z3="4.32196"
                        zFract="0.19450765"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.07787"
                        xFract="0.0092263"
                        y3="0.0206"
                        yFract="0.00244076"
                        z3="8.61161"
                        zFract="0.38756121"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.08514"
                        xFract="0.2470545"
                        y3="2.18655"
                        yFract="0.25906991"
                        z3="4.3225"
                        zFract="0.19453195"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.16289"
                        xFract="0.25626659"
                        y3="2.19295"
                        yFract="0.2598282"
                        z3="8.54412"
                        zFract="0.38452385"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.2053"
                        xFract="0.49825829"
                        y3="2.0901"
                        yFract="0.24764218"
                        z3="6.41563"
                        zFract="0.28873222"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.33988"
                        xFract="0.75117062"
                        y3="8.42935"
                        yFract="0.99873815"
                        z3="6.36726"
                        zFract="0.28655536"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.27764"
                        xFract="0.50682938"
                        y3="8.4304"
                        yFract="0.99886256"
                        z3="4.22347"
                        zFract="0.19007516"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.1316"
                        xFract="0.48952607"
                        y3="0.07199"
                        yFract="0.00852962"
                        z3="8.48523"
                        zFract="0.38187354"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.37327"
                        xFract="0.75512678"
                        y3="2.1159"
                        yFract="0.25069905"
                        z3="4.23618"
                        zFract="0.19064716"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.26412"
                        xFract="0.74219431"
                        y3="2.05725"
                        yFract="0.24375"
                        z3="8.60767"
                        zFract="0.38738389"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a63"
                        x3="0.02634"
                        xFract="0.00312085"
                        y3="6.31641"
                        yFract="0.74838981"
                        z3="6.48041"
                        zFract="0.29164761"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.07355"
                        xFract="0.24568128"
                        y3="4.23156"
                        yFract="0.50136967"
                        z3="6.34117"
                        zFract="0.28538119"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="8.36945"
                        xFract="0.991641"
                        y3="4.31378"
                        yFract="0.51111137"
                        z3="4.16329"
                        zFract="0.18736679"/>
                  <atom elementType="O"
                        id="a68"
                        x3="8.24396"
                        xFract="0.97677251"
                        y3="4.10265"
                        yFract="0.48609597"
                        z3="9.20563"
                        zFract="0.41429478"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.14844"
                        xFract="0.2545545"
                        y3="6.27085"
                        yFract="0.74299171"
                        z3="4.21808"
                        zFract="0.18983258"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.14604"
                        xFract="0.25427014"
                        y3="6.24872"
                        yFract="0.74036967"
                        z3="8.54788"
                        zFract="0.38469307"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.20528"
                        xFract="0.49825592"
                        y3="6.34803"
                        yFract="0.75213626"
                        z3="6.25025"
                        zFract="0.28128938"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.43235"
                        xFract="0.76212678"
                        y3="4.22074"
                        yFract="0.50008768"
                        z3="6.50332"
                        zFract="0.29267867"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.29999"
                        xFract="0.50947749"
                        y3="4.22054"
                        yFract="0.50006398"
                        z3="4.24217"
                        zFract="0.19091674"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.27132"
                        xFract="0.50608057"
                        y3="4.13216"
                        yFract="0.48959242"
                        z3="8.5488"
                        zFract="0.38473447"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.27355"
                        xFract="0.74331161"
                        y3="6.31581"
                        yFract="0.74831872"
                        z3="4.21803"
                        zFract="0.18983033"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.28161"
                        xFract="0.74426659"
                        y3="6.35272"
                        yFract="0.75269194"
                        z3="8.63722"
                        zFract="0.38871377"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a69" order="S"/>
                  <bond atomRefs2="a2 a62" order="S"/>
                  <bond atomRefs2="a2 a66" order="S"/>
                  <bond atomRefs2="a3 a69" order="S"/>
                  <bond atomRefs2="a3 a64" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a76" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a4 a80" order="S"/>
                  <bond atomRefs2="a4 a79" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a5 a74" order="S"/>
                  <bond atomRefs2="a5 a60" order="S"/>
                  <bond atomRefs2="a5 a54" order="S"/>
                  <bond atomRefs2="a5 a59" order="S"/>
                  <bond atomRefs2="a5 a52" order="S"/>
                  <bond atomRefs2="a6 a78" order="S"/>
                  <bond atomRefs2="a6 a53" order="S"/>
                  <bond atomRefs2="a6 a61" order="S"/>
                  <bond atomRefs2="a6 a58" order="S"/>
                  <bond atomRefs2="a6 a51" order="S"/>
                  <bond atomRefs2="a7 a45" order="S"/>
                  <bond atomRefs2="a7 a73" order="S"/>
                  <bond atomRefs2="a8 a72" order="S"/>
                  <bond atomRefs2="a8 a79" order="S"/>
                  <bond atomRefs2="a8 a76" order="S"/>
                  <bond atomRefs2="a8 a69" order="S"/>
                  <bond atomRefs2="a9 a77" order="S"/>
                  <bond atomRefs2="a9 a80" order="S"/>
                  <bond atomRefs2="a9 a57" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a9 a73" order="S"/>
                  <bond atomRefs2="a9 a70" order="S"/>
                  <bond atomRefs2="a10 a74" order="S"/>
                  <bond atomRefs2="a10 a77" order="S"/>
                  <bond atomRefs2="a10 a80" order="S"/>
                  <bond atomRefs2="a10 a67" order="S"/>
                  <bond atomRefs2="a10 a60" order="S"/>
                  <bond atomRefs2="a11 a43" order="S"/>
                  <bond atomRefs2="a12 a50" order="S"/>
                  <bond atomRefs2="a12 a51" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a12 a65" order="S"/>
                  <bond atomRefs2="a12 a53" order="S"/>
                  <bond atomRefs2="a13 a48" order="S"/>
                  <bond atomRefs2="a13 a43" order="S"/>
                  <bond atomRefs2="a13 a51" order="S"/>
                  <bond atomRefs2="a14 a56" order="S"/>
                  <bond atomRefs2="a14 a52" order="S"/>
                  <bond atomRefs2="a14 a54" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a15 a45" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a15 a63" order="S"/>
                  <bond atomRefs2="a15 a65" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a15 a73" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a16 a44" order="S"/>
                  <bond atomRefs2="a16 a46" order="S"/>
                  <bond atomRefs2="a16 a56" order="S"/>
                  <bond atomRefs2="a17 a55" order="S"/>
                  <bond atomRefs2="a17 a47" order="S"/>
                  <bond atomRefs2="a17 a80" order="S"/>
                  <bond atomRefs2="a17 a57" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a18 a62" order="S"/>
                  <bond atomRefs2="a18 a64" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a18 a42" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a19 a61" order="S"/>
                  <bond atomRefs2="a19 a78" order="S"/>
                  <bond atomRefs2="a19 a81" order="S"/>
                  <bond atomRefs2="a19 a75" order="S"/>
                  <bond atomRefs2="a20 a74" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a52" order="S"/>
                  <bond atomRefs2="a20 a76" order="S"/>
                  <bond atomRefs2="a20 a64" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a21 a69" order="S"/>
                  <bond atomRefs2="a21 a70" order="S"/>
                  <bond atomRefs2="a21 a64" order="S"/>
                  <bond atomRefs2="a21 a62" order="S"/>
                  <bond atomRefs2="a21 a72" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a22 a44" order="S"/>
                  <bond atomRefs2="a23 a42" order="S"/>
                  <bond atomRefs2="a23 a46" order="S"/>
                  <bond atomRefs2="a23 a49" order="S"/>
                  <bond atomRefs2="a23 a66" order="S"/>
                  <bond atomRefs2="a24 a54" order="S"/>
                  <bond atomRefs2="a24 a59" order="S"/>
                  <bond atomRefs2="a24 a56" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a25 a44" order="S"/>
                  <bond atomRefs2="a25 a42" order="S"/>
                  <bond atomRefs2="a25 a64" order="S"/>
                  <bond atomRefs2="a25 a52" order="S"/>
                  <bond atomRefs2="a26 a74" order="S"/>
                  <bond atomRefs2="a26 a79" order="S"/>
                  <bond atomRefs2="a26 a59" order="S"/>
                  <bond atomRefs2="a26 a76" order="S"/>
                  <bond atomRefs2="a27 a81" order="S"/>
                  <bond atomRefs2="a27 a71" order="S"/>
                  <bond atomRefs2="a28 a52" order="S"/>
                  <bond atomRefs2="a28 a76" order="S"/>
                  <bond atomRefs2="a28 a56" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a28 a49" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a29 a58" order="S"/>
                  <bond atomRefs2="a30 a50" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a71" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a31 a78" order="S"/>
                  <bond atomRefs2="a32 a63" order="S"/>
                  <bond atomRefs2="a32 a71" order="S"/>
                  <bond atomRefs2="a33 a77" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a33 a75" order="S"/>
                  <bond atomRefs2="a33 a78" order="S"/>
                  <bond atomRefs2="a33 a53" order="S"/>
                  <bond atomRefs2="a33 a65" order="S"/>
                  <bond atomRefs2="a34 a53" order="S"/>
                  <bond atomRefs2="a34 a60" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a50" order="S"/>
                  <bond atomRefs2="a35 a81" order="S"/>
                  <bond atomRefs2="a35 a55" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
                  <bond atomRefs2="a37 a60" order="S"/>
                  <bond atomRefs2="a37 a61" order="S"/>
                  <bond atomRefs2="a37 a53" order="S"/>
                  <bond atomRefs2="a37 a75" order="S"/>
                  <bond atomRefs2="a38 a55" order="S"/>
                  <bond atomRefs2="a38 a75" order="S"/>
                  <bond atomRefs2="a38 a81" order="S"/>
                  <bond atomRefs2="a38 a73" order="S"/>
                  <bond atomRefs2="a38 a80" order="S"/>
                  <bond atomRefs2="a39 a43" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a39 a65" order="S"/>
                  <bond atomRefs2="a40 a70" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a40 a65" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
                  <bond atomRefs2="a40 a77" order="S"/>
                  <bond atomRefs2="a41 a63" order="S"/>
                  <bond atomRefs2="a41 a62" order="S"/>
                  <bond atomRefs2="a41 a70" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 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>
