<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.3.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">27Jun22 (build Feb 11 2023 09:31:23) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2023-12-26T22:41:18.000</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="8.3795485"
                        xFract="0.9928375"
                        y3="8.4248394"
                        yFract="0.99820372"
                        z3="9.51152297"
                        zFract="0.42806134"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="6.32810741"
                        xFract="0.74977576"
                        y3="4.21107183"
                        yFract="0.49894216"
                        z3="4.20939391"
                        zFract="0.18944167"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="8.43512835"
                        xFract="0.99942279"
                        y3="0.01315779"
                        yFract="0.00155898"
                        z3="6.38533518"
                        zFract="0.28736882"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="6.34886272"
                        xFract="0.75223492"
                        y3="4.20725923"
                        yFract="0.49849043"
                        z3="8.4986996"
                        zFract="0.38247973"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="2.11093498"
                        xFract="0.25011078"
                        y3="4.21797499"
                        yFract="0.49976007"
                        z3="4.22329452"
                        zFract="0.19006726"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.25004083"
                        xFract="0.50355934"
                        y3="6.32393232"
                        yFract="0.74928108"
                        z3="8.47790124"
                        zFract="0.38154371"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.11793824"
                        xFract="0.25094055"
                        y3="8.43655783"
                        yFract="0.99959216"
                        z3="4.22262681"
                        zFract="0.19003721"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="4.25527464"
                        xFract="0.50417946"
                        y3="2.11608296"
                        yFract="0.25072073"
                        z3="8.53490442"
                        zFract="0.38410911"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="2.07238376"
                        xFract="0.2455431"
                        y3="2.12153731"
                        yFract="0.25136698"
                        z3="6.4197524"
                        zFract="0.28891775"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.22098613"
                        xFract="0.50011684"
                        y3="6.31530123"
                        yFract="0.74825844"
                        z3="4.24520833"
                        zFract="0.19105348"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="8.42837213"
                        xFract="0.99862229"
                        y3="4.2224611"
                        yFract="0.5002916"
                        z3="6.39749108"
                        zFract="0.28791589"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.08569964"
                        xFract="0.24712081"
                        y3="4.20635531"
                        yFract="0.49838333"
                        z3="8.66515118"
                        zFract="0.3899708"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.43119733"
                        xFract="0.99895703"
                        y3="6.30737877"
                        yFract="0.74731976"
                        z3="8.65563013"
                        zFract="0.38954231"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.35165881"
                        xFract="0.75256621"
                        y3="6.31564272"
                        yFract="0.7482989"
                        z3="6.38223838"
                        zFract="0.28722945"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.37860098"
                        xFract="0.75575841"
                        y3="2.12107024"
                        yFract="0.25131164"
                        z3="6.43285821"
                        zFract="0.28950757"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.21288221"
                        xFract="0.49915666"
                        y3="8.43984513"
                        yFract="0.99998165"
                        z3="6.40328605"
                        zFract="0.28817669"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.43641806"
                        xFract="0.9995756"
                        y3="2.14229709"
                        yFract="0.25382667"
                        z3="8.68523761"
                        zFract="0.39087478"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="8.43576835"
                        xFract="0.99949862"
                        y3="2.12525868"
                        yFract="0.2518079"
                        z3="4.25469027"
                        zFract="0.19148021"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.05088126"
                        xFract="0.24299541"
                        y3="6.29559729"
                        yFract="0.74592385"
                        z3="6.44880306"
                        zFract="0.29022516"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.0091823"
                        xFract="0.00108795"
                        y3="6.31358074"
                        yFract="0.74805459"
                        z3="4.21920826"
                        zFract="0.18988336"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.2307653"
                        xFract="0.50127551"
                        y3="2.10989332"
                        yFract="0.24998736"
                        z3="4.28306076"
                        zFract="0.19275701"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="6.35444064"
                        xFract="0.75289581"
                        y3="0.03363973"
                        yFract="0.00398575"
                        z3="8.52355511"
                        zFract="0.38359834"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.10313879"
                        xFract="0.24918706"
                        y3="0.00687708"
                        yFract="0.00081482"
                        z3="8.5390249"
                        zFract="0.38429455"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.19935956"
                        xFract="0.49755445"
                        y3="4.20372278"
                        yFract="0.49807142"
                        z3="6.40713011"
                        zFract="0.28834969"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.3273084"
                        xFract="0.74968109"
                        y3="0.01102289"
                        yFract="0.00130603"
                        z3="4.2425006"
                        zFract="0.19093162"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <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="0.02301411"
                        xFract="0.00272679"
                        y3="2.09123653"
                        yFract="0.24777684"
                        z3="6.31077886"
                        zFract="0.28401345"/>
                  <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="2.02210913"
                        xFract="0.23958639"
                        y3="0.00636832"
                        yFract="0.00075454"
                        z3="6.35788548"
                        zFract="0.28613346"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.01765268"
                        xFract="0.00209155"
                        y3="0.00451126"
                        yFract="0.00053451"
                        z3="4.21386568"
                        zFract="0.18964292"/>
                  <atom elementType="O"
                        id="a48"
                        x3="8.3795485"
                        xFract="0.9928375"
                        y3="8.4248394"
                        yFract="0.99820372"
                        z3="8.51162297"
                        zFract="0.38306134"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.14348258"
                        xFract="0.25396713"
                        y3="2.10186013"
                        yFract="0.24903556"
                        z3="4.24907949"
                        zFract="0.1912277"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.1063232"
                        xFract="0.24956436"
                        y3="2.09452948"
                        yFract="0.248167"
                        z3="8.554686"
                        zFract="0.38499937"/>
                  <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="4.18895827"
                        xFract="0.49632207"
                        y3="2.0162316"
                        yFract="0.23889"
                        z3="6.45071153"
                        zFract="0.29031105"/>
                  <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="6.43414825"
                        xFract="0.76233984"
                        y3="0.09345865"
                        yFract="0.0110733"
                        z3="6.36372045"
                        zFract="0.28639606"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.21502369"
                        xFract="0.49941039"
                        y3="8.39963047"
                        yFract="0.99521688"
                        z3="4.14379447"
                        zFract="0.1864894"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.34599401"
                        xFract="0.5149282"
                        y3="8.42995032"
                        yFract="0.99880928"
                        z3="8.72312138"
                        zFract="0.39257972"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.30644025"
                        xFract="0.74720856"
                        y3="2.19262684"
                        yFract="0.25978991"
                        z3="4.1315548"
                        zFract="0.18593856"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.38321935"
                        xFract="0.75630561"
                        y3="2.27717657"
                        yFract="0.26980765"
                        z3="8.69757104"
                        zFract="0.39142984"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a63"
                        x3="8.40066192"
                        xFract="0.99533909"
                        y3="6.36755876"
                        yFract="0.75445009"
                        z3="6.27392921"
                        zFract="0.28235505"/>
                  <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="2.09424893"
                        xFract="0.24813376"
                        y3="4.20949718"
                        yFract="0.49875559"
                        z3="6.26545473"
                        zFract="0.28197366"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.00135259"
                        xFract="0.00016026"
                        y3="4.21564521"
                        yFract="0.49948403"
                        z3="4.25329041"
                        zFract="0.19141721"/>
                  <atom elementType="O"
                        id="a68"
                        x3="8.37413753"
                        xFract="0.99219639"
                        y3="4.23551188"
                        yFract="0.5018379"
                        z3="8.50149043"
                        zFract="0.38260533"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.15830693"
                        xFract="0.25572357"
                        y3="6.32668224"
                        yFract="0.7496069"
                        z3="4.18202776"
                        zFract="0.18821007"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.11091616"
                        xFract="0.25010855"
                        y3="6.3419291"
                        yFract="0.7514134"
                        z3="8.58332158"
                        zFract="0.3862881"/>
                  <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="4.24383675"
                        xFract="0.50282426"
                        y3="6.4169071"
                        yFract="0.76029705"
                        z3="6.38240147"
                        zFract="0.28723679"/>
                  <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="6.32609853"
                        xFract="0.74953774"
                        y3="4.12494171"
                        yFract="0.48873717"
                        z3="6.26615577"
                        zFract="0.28200521"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.2100143"
                        xFract="0.49881686"
                        y3="4.24270183"
                        yFract="0.50268979"
                        z3="4.21915471"
                        zFract="0.18988095"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.30838984"
                        xFract="0.51047273"
                        y3="4.22213785"
                        yFract="0.5002533"
                        z3="8.51380253"
                        zFract="0.38315943"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.28568975"
                        xFract="0.74474997"
                        y3="6.2415883"
                        yFract="0.73952468"
                        z3="4.25202053"
                        zFract="0.19136006"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.37763629"
                        xFract="0.75564411"
                        y3="6.15990817"
                        yFract="0.72984694"
                        z3="8.47437092"
                        zFract="0.38138483"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a48" order="S"/>
                  <bond atomRefs2="a2 a76" order="S"/>
                  <bond atomRefs2="a2 a79" order="S"/>
                  <bond atomRefs2="a2 a74" order="S"/>
                  <bond atomRefs2="a2 a59" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a4 a76" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a4 a52" order="S"/>
                  <bond atomRefs2="a4 a77" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a5 a50" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a44" order="S"/>
                  <bond atomRefs2="a5 a42" order="S"/>
                  <bond atomRefs2="a5 a64" order="S"/>
                  <bond atomRefs2="a5 a52" order="S"/>
                  <bond atomRefs2="a6 a60" order="S"/>
                  <bond atomRefs2="a6 a75" order="S"/>
                  <bond atomRefs2="a6 a80" order="S"/>
                  <bond atomRefs2="a6 a74" order="S"/>
                  <bond atomRefs2="a6 a77" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a8 a61" order="S"/>
                  <bond atomRefs2="a8 a68" order="S"/>
                  <bond atomRefs2="a8 a78" order="S"/>
                  <bond atomRefs2="a8 a81" order="S"/>
                  <bond atomRefs2="a9 a70" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a9 a64" order="S"/>
                  <bond atomRefs2="a9 a62" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a10 a56" order="S"/>
                  <bond atomRefs2="a10 a54" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a11 a67" order="S"/>
                  <bond atomRefs2="a11 a77" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a64" order="S"/>
                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a12 a62" order="S"/>
                  <bond atomRefs2="a12 a66" order="S"/>
                  <bond atomRefs2="a12 a69" order="S"/>
                  <bond atomRefs2="a13 a73" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a13 a78" order="S"/>
                  <bond atomRefs2="a13 a81" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a46" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a15 a57" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a59" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a60" order="S"/>
                  <bond atomRefs2="a16 a74" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a17 a61" order="S"/>
                  <bond atomRefs2="a17 a78" order="S"/>
                  <bond atomRefs2="a17 a51" order="S"/>
                  <bond atomRefs2="a17 a53" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a76" order="S"/>
                  <bond atomRefs2="a18 a79" order="S"/>
                  <bond atomRefs2="a18 a72" order="S"/>
                  <bond atomRefs2="a18 a69" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a65" order="S"/>
                  <bond atomRefs2="a19 a45" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a19 a51" order="S"/>
                  <bond atomRefs2="a19 a53" order="S"/>
                  <bond atomRefs2="a20 a73" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a80" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a21 a68" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a21 a75" order="S"/>
                  <bond atomRefs2="a22 a51" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a23 a68" order="S"/>
                  <bond atomRefs2="a23 a48" order="S"/>
                  <bond atomRefs2="a23 a81" order="S"/>
                  <bond atomRefs2="a24 a79" order="S"/>
                  <bond atomRefs2="a24 a74" order="S"/>
                  <bond atomRefs2="a24 a72" order="S"/>
                  <bond atomRefs2="a24 a80" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a25 a80" order="S"/>
                  <bond atomRefs2="a25 a81" order="S"/>
                  <bond atomRefs2="a26 a49" order="S"/>
                  <bond atomRefs2="a26 a44" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a56" order="S"/>
                  <bond atomRefs2="a27 a55" order="S"/>
                  <bond atomRefs2="a27 a75" order="S"/>
                  <bond atomRefs2="a28 a54" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a28 a56" order="S"/>
                  <bond atomRefs2="a29 a73" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a30 a62" order="S"/>
                  <bond atomRefs2="a30 a64" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a61" order="S"/>
                  <bond atomRefs2="a31 a68" order="S"/>
                  <bond atomRefs2="a32 a60" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a33 a65" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a34 a67" order="S"/>
                  <bond atomRefs2="a34 a70" order="S"/>
                  <bond atomRefs2="a34 a62" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a35 a60" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a36 a55" order="S"/>
                  <bond atomRefs2="a36 a61" order="S"/>
                  <bond atomRefs2="a37 a69" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a66" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
                  <bond atomRefs2="a37 a76" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a38 a45" order="S"/>
                  <bond atomRefs2="a39 a65" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a39 a77" order="S"/>
                  <bond atomRefs2="a39 a75" order="S"/>
                  <bond atomRefs2="a39 a73" order="S"/>
                  <bond atomRefs2="a39 a78" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a41 a76" order="S"/>
                  <bond atomRefs2="a41 a52" order="S"/>
                  <bond atomRefs2="a41 a56" order="S"/>
                  <bond atomRefs2="a41 a59" order="S"/>
                  <bond atomRefs2="a41 a49" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 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="8.37954847"
                        xFract="0.9928375"
                        y3="8.42483943"
                        yFract="0.99820372"
                        z3="9.51152286"
                        zFract="0.42806133"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="6.32810738"
                        xFract="0.74977576"
                        y3="4.21107182"
                        yFract="0.49894216"
                        z3="4.20939395"
                        zFract="0.18944167"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="8.43512837"
                        xFract="0.99942279"
                        y3="0.01315777"
                        yFract="0.00155898"
                        z3="6.38533518"
                        zFract="0.28736882"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="6.34886273"
                        xFract="0.75223492"
                        y3="4.20725923"
                        yFract="0.49849043"
                        z3="8.4986996"
                        zFract="0.38247973"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="2.11093495"
                        xFract="0.25011078"
                        y3="4.21797495"
                        yFract="0.49976006"
                        z3="4.22329443"
                        zFract="0.19006726"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.25004087"
                        xFract="0.50355934"
                        y3="6.32393228"
                        yFract="0.74928108"
                        z3="8.47790117"
                        zFract="0.38154371"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.11793822"
                        xFract="0.25094055"
                        y3="8.43655783"
                        yFract="0.99959216"
                        z3="4.22262683"
                        zFract="0.19003721"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="4.25527466"
                        xFract="0.50417946"
                        y3="2.11608293"
                        yFract="0.25072073"
                        z3="8.53490451"
                        zFract="0.38410911"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="2.07238376"
                        xFract="0.2455431"
                        y3="2.1215373"
                        yFract="0.25136698"
                        z3="6.41975249"
                        zFract="0.28891775"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.22098611"
                        xFract="0.50011684"
                        y3="6.31530122"
                        yFract="0.74825844"
                        z3="4.24520833"
                        zFract="0.19105348"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="8.42837211"
                        xFract="0.99862229"
                        y3="4.2224611"
                        yFract="0.5002916"
                        z3="6.39749099"
                        zFract="0.28791589"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.08569965"
                        xFract="0.24712081"
                        y3="4.20635529"
                        yFract="0.49838333"
                        z3="8.66515111"
                        zFract="0.3899708"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.43119732"
                        xFract="0.99895703"
                        y3="6.30737877"
                        yFract="0.74731976"
                        z3="8.65563006"
                        zFract="0.38954231"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.35165881"
                        xFract="0.75256621"
                        y3="6.31564272"
                        yFract="0.7482989"
                        z3="6.3822384"
                        zFract="0.28722945"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.37860101"
                        xFract="0.75575841"
                        y3="2.12107022"
                        yFract="0.25131164"
                        z3="6.43285814"
                        zFract="0.28950757"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.21288219"
                        xFract="0.49915666"
                        y3="8.43984514"
                        yFract="0.99998165"
                        z3="6.40328599"
                        zFract="0.28817669"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.43641811"
                        xFract="0.9995756"
                        y3="2.1422971"
                        yFract="0.25382667"
                        z3="8.68523766"
                        zFract="0.39087478"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="8.43576834"
                        xFract="0.99949862"
                        y3="2.12525866"
                        yFract="0.2518079"
                        z3="4.25469033"
                        zFract="0.19148021"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.05088124"
                        xFract="0.24299541"
                        y3="6.29559733"
                        yFract="0.74592385"
                        z3="6.44880303"
                        zFract="0.29022516"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.00918231"
                        xFract="0.00108795"
                        y3="6.31358072"
                        yFract="0.74805459"
                        z3="4.21920835"
                        zFract="0.18988336"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.23076529"
                        xFract="0.50127551"
                        y3="2.1098933"
                        yFract="0.24998736"
                        z3="4.28306074"
                        zFract="0.19275701"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="6.35444066"
                        xFract="0.75289581"
                        y3="0.03363975"
                        yFract="0.00398575"
                        z3="8.52355507"
                        zFract="0.38359834"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.10313874"
                        xFract="0.24918705"
                        y3="0.00687707"
                        yFract="0.00081482"
                        z3="8.53902501"
                        zFract="0.38429455"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.19935957"
                        xFract="0.49755445"
                        y3="4.20372274"
                        yFract="0.49807142"
                        z3="6.40713009"
                        zFract="0.28834969"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.32730839"
                        xFract="0.74968109"
                        y3="0.01102293"
                        yFract="0.00130603"
                        z3="4.24250053"
                        zFract="0.19093162"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <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="0.02301407"
                        xFract="0.00272678"
                        y3="2.09123651"
                        yFract="0.24777684"
                        z3="6.31077877"
                        zFract="0.28401345"/>
                  <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="2.02210916"
                        xFract="0.23958639"
                        y3="0.00636835"
                        yFract="0.00075454"
                        z3="6.35788559"
                        zFract="0.28613346"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.01765267"
                        xFract="0.00209155"
                        y3="0.00451126"
                        yFract="0.00053451"
                        z3="4.21386557"
                        zFract="0.18964291"/>
                  <atom elementType="O"
                        id="a48"
                        x3="8.37954847"
                        xFract="0.9928375"
                        y3="8.42483943"
                        yFract="0.99820372"
                        z3="8.51162286"
                        zFract="0.38306134"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.14348254"
                        xFract="0.25396713"
                        y3="2.10186009"
                        yFract="0.24903556"
                        z3="4.24907954"
                        zFract="0.1912277"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.10632321"
                        xFract="0.24956436"
                        y3="2.09452948"
                        yFract="0.248167"
                        z3="8.55468593"
                        zFract="0.38499937"/>
                  <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="4.1889583"
                        xFract="0.49632207"
                        y3="2.01623158"
                        yFract="0.23889"
                        z3="6.45071155"
                        zFract="0.29031105"/>
                  <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="6.43414822"
                        xFract="0.76233984"
                        y3="0.09345866"
                        yFract="0.0110733"
                        z3="6.36372054"
                        zFract="0.28639606"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.21502373"
                        xFract="0.49941039"
                        y3="8.39963048"
                        yFract="0.99521688"
                        z3="4.14379453"
                        zFract="0.1864894"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.34599402"
                        xFract="0.5149282"
                        y3="8.4299503"
                        yFract="0.99880928"
                        z3="8.72312147"
                        zFract="0.39257972"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3064402"
                        xFract="0.74720856"
                        y3="2.19262687"
                        yFract="0.25978991"
                        z3="4.1315548"
                        zFract="0.18593856"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.38321931"
                        xFract="0.7563056"
                        y3="2.27717654"
                        yFract="0.26980765"
                        z3="8.69757113"
                        zFract="0.39142984"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10978896"
                        zFract="0.09495"/>
                  <atom elementType="O"
                        id="a63"
                        x3="8.40066195"
                        xFract="0.99533909"
                        y3="6.36755873"
                        yFract="0.75445009"
                        z3="6.27392914"
                        zFract="0.28235505"/>
                  <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="2.09424894"
                        xFract="0.24813376"
                        y3="4.20949716"
                        yFract="0.49875559"
                        z3="6.26545479"
                        zFract="0.28197366"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.00135259"
                        xFract="0.00016026"
                        y3="4.21564523"
                        yFract="0.49948403"
                        z3="4.25329043"
                        zFract="0.19141721"/>
                  <atom elementType="O"
                        id="a68"
                        x3="8.37413749"
                        xFract="0.99219638"
                        y3="4.23551191"
                        yFract="0.5018379"
                        z3="8.50149048"
                        zFract="0.38260533"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.15830695"
                        xFract="0.25572357"
                        y3="6.32668227"
                        yFract="0.7496069"
                        z3="4.1820278"
                        zFract="0.18821007"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.1109162"
                        xFract="0.25010855"
                        y3="6.34192912"
                        yFract="0.7514134"
                        z3="8.58332149"
                        zFract="0.3862881"/>
                  <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="4.24383675"
                        xFract="0.50282426"
                        y3="6.41690712"
                        yFract="0.76029705"
                        z3="6.38240143"
                        zFract="0.28723679"/>
                  <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="6.32609855"
                        xFract="0.74953774"
                        y3="4.12494173"
                        yFract="0.48873717"
                        z3="6.26615581"
                        zFract="0.28200521"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.21001426"
                        xFract="0.49881686"
                        y3="4.24270181"
                        yFract="0.50268979"
                        z3="4.21915471"
                        zFract="0.18988095"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.30838981"
                        xFract="0.51047273"
                        y3="4.22213784"
                        yFract="0.5002533"
                        z3="8.51380253"
                        zFract="0.38315943"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.28568972"
                        xFract="0.74474997"
                        y3="6.24158827"
                        yFract="0.73952468"
                        z3="4.25202056"
                        zFract="0.19136006"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.3776363"
                        xFract="0.75564411"
                        y3="6.15990822"
                        yFract="0.72984695"
                        z3="8.47437101"
                        zFract="0.38138483"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a48" order="S"/>
                  <bond atomRefs2="a2 a76" order="S"/>
                  <bond atomRefs2="a2 a79" order="S"/>
                  <bond atomRefs2="a2 a74" order="S"/>
                  <bond atomRefs2="a2 a59" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a4 a76" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a4 a52" order="S"/>
                  <bond atomRefs2="a4 a77" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a5 a50" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a44" order="S"/>
                  <bond atomRefs2="a5 a42" order="S"/>
                  <bond atomRefs2="a5 a64" order="S"/>
                  <bond atomRefs2="a5 a52" order="S"/>
                  <bond atomRefs2="a6 a60" order="S"/>
                  <bond atomRefs2="a6 a75" order="S"/>
                  <bond atomRefs2="a6 a80" order="S"/>
                  <bond atomRefs2="a6 a74" order="S"/>
                  <bond atomRefs2="a6 a77" order="S"/>
                  <bond atomRefs2="a7 a55" order="S"/>
                  <bond atomRefs2="a8 a61" order="S"/>
                  <bond atomRefs2="a8 a68" order="S"/>
                  <bond atomRefs2="a8 a78" order="S"/>
                  <bond atomRefs2="a8 a81" order="S"/>
                  <bond atomRefs2="a9 a70" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a9 a64" order="S"/>
                  <bond atomRefs2="a9 a62" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a10 a56" order="S"/>
                  <bond atomRefs2="a10 a54" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a11 a67" order="S"/>
                  <bond atomRefs2="a11 a77" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a64" order="S"/>
                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a12 a62" order="S"/>
                  <bond atomRefs2="a12 a66" order="S"/>
                  <bond atomRefs2="a12 a69" order="S"/>
                  <bond atomRefs2="a13 a73" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a13 a78" order="S"/>
                  <bond atomRefs2="a13 a81" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a46" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a15 a57" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a59" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a60" order="S"/>
                  <bond atomRefs2="a16 a74" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a17 a61" order="S"/>
                  <bond atomRefs2="a17 a78" order="S"/>
                  <bond atomRefs2="a17 a51" order="S"/>
                  <bond atomRefs2="a17 a53" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a18 a76" order="S"/>
                  <bond atomRefs2="a18 a79" order="S"/>
                  <bond atomRefs2="a18 a72" order="S"/>
                  <bond atomRefs2="a18 a69" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a65" order="S"/>
                  <bond atomRefs2="a19 a45" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a19 a51" order="S"/>
                  <bond atomRefs2="a19 a53" order="S"/>
                  <bond atomRefs2="a20 a73" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a80" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a21 a68" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a21 a75" order="S"/>
                  <bond atomRefs2="a22 a51" order="S"/>
                  <bond atomRefs2="a22 a71" order="S"/>
                  <bond atomRefs2="a23 a68" order="S"/>
                  <bond atomRefs2="a23 a48" order="S"/>
                  <bond atomRefs2="a23 a81" order="S"/>
                  <bond atomRefs2="a24 a79" order="S"/>
                  <bond atomRefs2="a24 a74" order="S"/>
                  <bond atomRefs2="a24 a72" order="S"/>
                  <bond atomRefs2="a24 a80" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a25 a80" order="S"/>
                  <bond atomRefs2="a25 a81" order="S"/>
                  <bond atomRefs2="a26 a49" order="S"/>
                  <bond atomRefs2="a26 a44" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a56" order="S"/>
                  <bond atomRefs2="a27 a55" order="S"/>
                  <bond atomRefs2="a27 a75" order="S"/>
                  <bond atomRefs2="a28 a54" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a28 a56" order="S"/>
                  <bond atomRefs2="a29 a73" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a30 a62" order="S"/>
                  <bond atomRefs2="a30 a64" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a61" order="S"/>
                  <bond atomRefs2="a31 a68" order="S"/>
                  <bond atomRefs2="a32 a60" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a33 a65" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a34 a67" order="S"/>
                  <bond atomRefs2="a34 a70" order="S"/>
                  <bond atomRefs2="a34 a62" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a35 a60" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a36 a55" order="S"/>
                  <bond atomRefs2="a36 a61" order="S"/>
                  <bond atomRefs2="a37 a69" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a66" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
                  <bond atomRefs2="a37 a76" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a38 a45" order="S"/>
                  <bond atomRefs2="a39 a65" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a39 a77" order="S"/>
                  <bond atomRefs2="a39 a75" order="S"/>
                  <bond atomRefs2="a39 a73" order="S"/>
                  <bond atomRefs2="a39 a78" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a41 a76" order="S"/>
                  <bond atomRefs2="a41 a52" order="S"/>
                  <bond atomRefs2="a41 a56" order="S"/>
                  <bond atomRefs2="a41 a59" order="S"/>
                  <bond atomRefs2="a41 a49" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">591.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.02</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">--</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:libxc">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="6">PAW_PBE H 15Jun2001|PAW_PBE Ni 02Aug2007|PAW_PBE Mg 13Apr2007|PAW_PBE Cu 22Jun2005|PAW_PBE Zn 06Sep2000|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="6">H Ni Mg Cu Zn O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="6">1.000 58.690 24.305 63.546 65.390 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="6">1.000 10.000 2.000 11.000 12.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="6">1 10 10 10 10 40</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="728">-19.9204 -18.7402 -18.4910 -18.3707 -18.3150 -18.2021 -18.1258 -18.0229 -17.9671 -17.8917 -17.8744 -17.8430 -17.8042 -17.7416 -17.6949 -17.6850 -17.6543 -17.6263 -17.6025 -17.5845 -17.5537 -17.5258 -17.5009 -17.4846 -17.4569 -17.4260 -17.3993 -17.3875 -17.3732 -17.3490 -17.3193 -17.2997 -17.2669 -17.2416 -17.1775 -17.1488 -17.1162 -17.0870 -17.0437 -16.9426 -7.6256 -6.7402 -6.7218 -6.6514 -6.6106 -6.3978 -6.3650 -6.3421 -6.3140 -6.2910 -6.2799 -6.2633 -6.2459 -6.2169 -6.2012 -6.1655 -6.1365 -6.1162 -6.1007 -6.0772 -6.0562 -6.0244 -6.0065 -5.9866 -5.9771 -5.9481 -5.9306 -5.9086 -5.8849 -5.8773 -5.8394 -5.8268 -5.8049 -5.7688 -5.7566 -5.7360 -5.7230 -5.6927 -5.6767 -5.6578 -5.6334 -5.6204 -5.5995 -5.5761 -5.5451 -5.5289 -5.4781 -5.4577 -5.4358 -5.4177 -5.3861 -5.3778 -5.3511 -5.3337 -5.3223 -5.2901 -5.2616 -5.2231 -5.1986 -5.1756 -5.1317 -5.1036 -5.0742 -5.0294 -5.0121 -4.9843 -4.9518 -4.9212 -4.8989 -4.8712 -4.8597 -4.8266 -4.7997 -4.7676 -4.7410 -4.7248 -4.6673 -4.6388 -4.6075 -4.5664 -4.5288 -4.5093 -4.4595 -4.4335 -4.4181 -4.3763 -4.3548 -4.3026 -4.2685 -4.2370 -4.2286 -4.1854 -4.1647 -4.1126 -4.1026 -4.0740 -4.0516 -4.0188 -4.0014 -3.9672 -3.9579 -3.9226 -3.8865 -3.8600 -3.8389 -3.8248 -3.8031 -3.7739 -3.7481 -3.7382 -3.6975 -3.6627 -3.6363 -3.5997 -3.5742 -3.5462 -3.5202 -3.5139 -3.4797 -3.4594 -3.4379 -3.3925 -3.3723 -3.3609 -3.2982 -3.2617 -3.2234 -3.1920 -3.1656 -3.1463 -3.0943 -3.0736 -3.0400 -2.9954 -2.9720 -2.9452 -2.9066 -2.8738 -2.8504 -2.7976 -2.7538 -2.7486 -2.7067 -2.6702 -2.6286 -2.5993 -2.5901 -2.5575 -2.5175 -2.4643 -2.4292 -2.3947 -2.3431 -2.3185 -2.2601 -2.2498 -2.2027 -2.1953 -2.1584 -2.0849 -2.0356 -1.9791 -1.9336 -1.8995 -1.8524 -1.8189 -1.8055 -1.7851 -1.7160 -1.6683 -1.5554 -1.5280 -1.5123 -1.4673 -1.4565 -1.4116 -1.3965 -1.3860 -1.3622 -1.3463 -1.3160 -1.2879 -1.2791 -1.2616 -1.2550 -1.2361 -1.2075 -1.1953 -1.1811 -1.1647 -1.1422 -1.1353 -1.1138 -1.0907 -1.0680 -1.0564 -1.0384 -1.0272 -1.0198 -1.0016 -0.9853 -0.9681 -0.9521 -0.9466 -0.9294 -0.9244 -0.9028 -0.8930 -0.8842 -0.8759 -0.8640 -0.8521 -0.8397 -0.8213 -0.8083 -0.8012 -0.7797 -0.7604 -0.7472 -0.7376 -0.7239 -0.7067 -0.6820 -0.6730 -0.6499 -0.6416 -0.6334 -0.5913 -0.5685 -0.5379 -0.5265 -0.5151 -0.4848 -0.4747 -0.4446 -0.4330 -0.4003 -0.3839 -0.3550 -0.3451 -0.3112 -0.2523 -0.2308 -0.2156 -0.1766 -0.1537 -0.1221 -0.0887 -0.0244 0.0085 0.0317 0.0500 0.0820 0.1099 0.1389 0.1580 0.2425 0.2859 0.3155 0.3716 0.4038 0.5844 0.6439 0.7095 0.8818 0.9312 0.9923 1.0328 1.5121 1.7311 2.0840 2.5418 3.4282 3.6694 3.8191 3.9213 4.0044 4.4872 4.5755 4.6913 4.7614 4.8160 4.8764 5.0779 5.1275 5.1785 5.4071 5.5171 5.5898 5.6501 5.7368 5.8149 5.8594 5.8935 5.9256 5.9638 6.0086 6.1293 6.1471 6.2481 6.3243 6.4205 6.5308 6.6249 6.6924 6.7268 6.8100 6.9228 7.0358 7.0668 7.1139 7.1617 7.2265 7.3218 7.3497 7.4117 7.5137 7.5360 7.6474 7.7825 7.8390 7.9791 8.0234 8.0873 -19.9204 -18.7398 -18.4910 -18.3784 -18.3057 -18.2036 -18.1259 -18.0239 -17.9606 -17.8949 -17.8734 -17.8592 -17.7989 -17.7257 -17.6973 -17.6799 -17.6639 -17.6319 -17.5982 -17.5920 -17.5507 -17.5283 -17.4970 -17.4826 -17.4468 -17.4208 -17.4097 -17.3872 -17.3767 -17.3638 -17.3028 -17.2925 -17.2751 -17.2403 -17.1816 -17.1508 -17.1157 -17.0871 -17.0413 -16.9428 -7.6255 -6.7183 -6.7159 -6.6450 -6.6045 -6.4010 -6.3737 -6.3549 -6.3282 -6.3022 -6.2775 -6.2524 -6.2416 -6.2280 -6.1912 -6.1839 -6.1429 -6.1197 -6.0973 -6.0686 -6.0543 -6.0480 -6.0172 -5.9949 -5.9700 -5.9400 -5.9337 -5.9222 -5.8831 -5.8518 -5.8367 -5.8081 -5.7968 -5.7814 -5.7577 -5.7455 -5.7259 -5.7044 -5.6913 -5.6717 -5.6383 -5.6253 -5.5975 -5.5669 -5.5444 -5.5154 -5.5082 -5.4813 -5.4485 -5.4381 -5.4104 -5.3833 -5.3618 -5.3249 -5.2964 -5.2652 -5.2468 -5.2162 -5.1657 -5.1345 -5.1136 -5.0762 -5.0413 -5.0303 -4.9803 -4.9654 -4.9336 -4.9136 -4.9067 -4.8735 -4.8608 -4.8307 -4.8145 -4.7585 -4.7400 -4.7166 -4.6792 -4.6570 -4.5861 -4.5586 -4.5352 -4.4955 -4.4739 -4.4255 -4.4107 -4.3772 -4.3583 -4.3374 -4.3059 -4.2601 -4.2296 -4.1780 -4.1661 -4.1384 -4.1251 -4.0982 -4.0663 -4.0375 -4.0090 -3.9897 -3.9435 -3.9344 -3.9056 -3.8758 -3.8361 -3.8070 -3.7829 -3.7760 -3.7564 -3.7195 -3.7015 -3.6750 -3.6438 -3.6010 -3.5709 -3.5392 -3.5064 -3.4979 -3.4632 -3.4333 -3.4159 -3.3894 -3.3672 -3.3247 -3.2958 -3.2753 -3.2537 -3.1955 -3.1648 -3.1206 -3.0912 -3.0638 -3.0265 -2.9981 -2.9756 -2.9549 -2.8975 -2.8770 -2.8480 -2.8226 -2.7607 -2.7436 -2.7105 -2.6902 -2.6535 -2.6087 -2.5707 -2.5215 -2.5047 -2.4677 -2.4547 -2.3979 -2.3628 -2.3140 -2.2707 -2.2289 -2.2055 -2.1869 -2.1339 -2.0804 -2.0415 -1.9844 -1.9367 -1.9056 -1.8827 -1.8361 -1.8216 -1.7679 -1.7046 -1.6394 -1.5468 -1.5190 -1.5097 -1.4865 -1.4719 -1.4462 -1.4003 -1.3638 -1.3573 -1.3327 -1.3204 -1.3008 -1.2880 -1.2683 -1.2463 -1.2310 -1.2178 -1.1967 -1.1868 -1.1579 -1.1407 -1.1353 -1.1025 -1.0847 -1.0606 -1.0451 -1.0341 -1.0178 -1.0086 -0.9944 -0.9773 -0.9716 -0.9593 -0.9507 -0.9272 -0.9185 -0.9089 -0.8898 -0.8788 -0.8721 -0.8596 -0.8534 -0.8361 -0.8269 -0.8082 -0.7855 -0.7749 -0.7717 -0.7487 -0.7241 -0.7135 -0.7070 -0.6793 -0.6674 -0.6570 -0.6341 -0.6233 -0.6017 -0.5852 -0.5524 -0.5223 -0.5158 -0.4967 -0.4776 -0.4548 -0.4387 -0.4169 -0.3760 -0.3599 -0.3407 -0.3176 -0.2546 -0.2294 -0.2137 -0.1775 -0.1422 -0.1254 -0.0950 -0.0269 0.0032 0.0243 0.0443 0.0915 0.1113 0.1359 0.1610 0.2472 0.2785 0.3197 0.3715 0.3986 0.5834 0.6461 0.7143 0.8958 0.9318 0.9899 1.0260 1.5125 1.7306 2.0898 2.5435 3.4253 3.6603 3.8133 3.8378 4.1551 4.4488 4.5726 4.6842 4.7041 4.7915 4.8827 5.1084 5.1268 5.2306 5.3799 5.5522 5.6013 5.6511 5.7475 5.7952 5.8609 5.8903 5.9233 5.9889 6.0241 6.0885 6.1672 6.2601 6.3265 6.4025 6.5071 6.6071 6.6749 6.7659 6.7977 6.9381 6.9872 7.0842 7.1120 7.1465 7.2451 7.2871 7.3751 7.4660 7.4945 7.5373 7.6760 7.7983 7.8531 7.8930 7.9605 8.0801</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 0.80773 0.00043 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.82619 0.00024 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000</array>
                  </list>
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">2</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="2">1 2</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="728">-19.9690 -18.6287 -18.3556 -18.2555 -18.2020 -18.0528 -18.0097 -17.9012 -17.8454 -17.8242 -17.7625 -17.7293 -17.6725 -17.6517 -17.6194 -17.5936 -17.5401 -17.5140 -17.4869 -17.4499 -17.4368 -17.4029 -17.3806 -17.3692 -17.3502 -17.3458 -17.3199 -17.2861 -17.2627 -17.2322 -17.2052 -17.1924 -17.1671 -17.1481 -17.1101 -17.0835 -17.0592 -17.0119 -16.9646 -16.8216 -7.6341 -6.6844 -6.6712 -6.6030 -6.5580 -6.3920 -6.3357 -6.3099 -6.2797 -6.2656 -6.2373 -6.1984 -6.1804 -6.1707 -6.1369 -6.1133 -6.1013 -6.0751 -6.0397 -6.0234 -6.0043 -5.9859 -5.9685 -5.9532 -5.9460 -5.8986 -5.8906 -5.8770 -5.8429 -5.8321 -5.8009 -5.7802 -5.7577 -5.7251 -5.7168 -5.6982 -5.6651 -5.6439 -5.6303 -5.5965 -5.5845 -5.5679 -5.5472 -5.5209 -5.4947 -5.4889 -5.4405 -5.4149 -5.3893 -5.3699 -5.3447 -5.3360 -5.3101 -5.2856 -5.2534 -5.2258 -5.2035 -5.1691 -5.1230 -5.1095 -5.0704 -5.0393 -5.0163 -4.9705 -4.9431 -4.9141 -4.8872 -4.8443 -4.8171 -4.7941 -4.7752 -4.7325 -4.7067 -4.6516 -4.6279 -4.6094 -4.5576 -4.5282 -4.4867 -4.4487 -4.4242 -4.3982 -4.3619 -4.3132 -4.2857 -4.2452 -4.2306 -4.1750 -4.1219 -4.0962 -4.0463 -4.0325 -3.9832 -3.9612 -3.9250 -3.8913 -3.8674 -3.8346 -3.8243 -3.7890 -3.7535 -3.7344 -3.6981 -3.6768 -3.6438 -3.6037 -3.5685 -3.5589 -3.5276 -3.4725 -3.4555 -3.4357 -3.3893 -3.3779 -3.3626 -3.3334 -3.3180 -3.2764 -3.2580 -3.2360 -3.2140 -3.1970 -3.1767 -3.1283 -3.0901 -3.0673 -3.0351 -3.0049 -2.9772 -2.9527 -2.9178 -2.8907 -2.8716 -2.8524 -2.8183 -2.7752 -2.7589 -2.7048 -2.6815 -2.6378 -2.6269 -2.5999 -2.5687 -2.5345 -2.4991 -2.4737 -2.4496 -2.4090 -2.3765 -2.3308 -2.2912 -2.2780 -2.2260 -2.1837 -2.1566 -2.1272 -2.1134 -2.0545 -1.9843 -1.9480 -1.9054 -1.8652 -1.8103 -1.7403 -1.6937 -1.6692 -1.5777 -1.5351 -1.4888 -1.4358 -1.3714 -1.3519 -1.2853 -1.2466 -1.2295 -1.2095 -1.1858 -1.1692 -1.1120 -1.1025 -1.0784 -1.0546 -1.0345 -1.0135 -0.9994 -0.9804 -0.9704 -0.9507 -0.9419 -0.9319 -0.9075 -0.8998 -0.8777 -0.8568 -0.8410 -0.8186 -0.8040 -0.7741 -0.7485 -0.7296 -0.7080 -0.6792 -0.6658 -0.6171 -0.6027 -0.5808 -0.5634 -0.5525 -0.5312 -0.5162 -0.5098 -0.4951 -0.4306 -0.4282 -0.3764 -0.3637 -0.3359 -0.3280 -0.3110 -0.2863 -0.2603 -0.2527 -0.2437 -0.2232 -0.2148 -0.2043 -0.1802 -0.1553 -0.1435 -0.1276 -0.1168 -0.1037 -0.0842 -0.0649 -0.0428 -0.0052 0.0001 0.0493 0.0654 0.0970 0.1226 0.1413 0.1580 0.1932 0.2359 0.2951 0.3390 0.3696 0.5304 0.6151 0.6660 0.6845 0.7219 0.8245 0.9019 1.0111 1.0402 1.0927 1.3976 1.4193 1.4658 1.5203 1.5961 1.6799 1.7649 1.8034 1.8767 1.8956 1.9103 2.0720 2.1357 2.6701 3.4667 3.7129 3.8374 4.0611 4.1487 4.5345 4.6181 4.7393 4.8393 4.9074 4.9848 5.1396 5.1501 5.3082 5.4478 5.5873 5.6835 5.7133 5.8170 5.8990 5.9424 5.9652 6.0200 6.0823 6.1238 6.2142 6.2827 6.3690 6.4039 6.5128 6.6044 6.6986 6.7926 6.8082 6.8844 6.9930 7.1238 7.1505 7.2135 7.2621 7.3103 7.4009 7.4341 7.4920 7.5949 7.6329 7.7418 7.8899 7.9347 8.0824 8.1374 8.1853 -19.9690 -18.6283 -18.3588 -18.2500 -18.2040 -18.0620 -17.9968 -17.9062 -17.8417 -17.8217 -17.7709 -17.7310 -17.6801 -17.6501 -17.6106 -17.5771 -17.5574 -17.5102 -17.4772 -17.4633 -17.4333 -17.4097 -17.3875 -17.3627 -17.3515 -17.3348 -17.3149 -17.2938 -17.2550 -17.2376 -17.2118 -17.1845 -17.1733 -17.1431 -17.1236 -17.0685 -17.0572 -17.0237 -16.9588 -16.8223 -7.6340 -6.6795 -6.6524 -6.5955 -6.5482 -6.3942 -6.3566 -6.3224 -6.2827 -6.2577 -6.2186 -6.2068 -6.1899 -6.1776 -6.1416 -6.1304 -6.0894 -6.0668 -6.0620 -6.0206 -6.0095 -5.9984 -5.9780 -5.9444 -5.9336 -5.9176 -5.9018 -5.8837 -5.8411 -5.8071 -5.7914 -5.7699 -5.7534 -5.7357 -5.7098 -5.6941 -5.6772 -5.6621 -5.6401 -5.6156 -5.5970 -5.5660 -5.5468 -5.5086 -5.4876 -5.4705 -5.4525 -5.4317 -5.4041 -5.3839 -5.3550 -5.3356 -5.3215 -5.2686 -5.2433 -5.2106 -5.1897 -5.1591 -5.1052 -5.0835 -5.0637 -5.0144 -4.9951 -4.9762 -4.9132 -4.8887 -4.8691 -4.8385 -4.8196 -4.8139 -4.7509 -4.7256 -4.7055 -4.6732 -4.6397 -4.6087 -4.5779 -4.5331 -4.5050 -4.4610 -4.4129 -4.3943 -4.3432 -4.3267 -4.2972 -4.2591 -4.2233 -4.1848 -4.1188 -4.0958 -4.0674 -4.0221 -4.0039 -3.9656 -3.9447 -3.9118 -3.8628 -3.8427 -3.8148 -3.7871 -3.7605 -3.7273 -3.7094 -3.6787 -3.6470 -3.6161 -3.5812 -3.5653 -3.5060 -3.4846 -3.4602 -3.4384 -3.3878 -3.3745 -3.3450 -3.3287 -3.3049 -3.2789 -3.2630 -3.2396 -3.2240 -3.2029 -3.1488 -3.1259 -3.0810 -3.0391 -3.0269 -3.0027 -2.9750 -2.9494 -2.9184 -2.8825 -2.8666 -2.8329 -2.7984 -2.7635 -2.7336 -2.7191 -2.7023 -2.6489 -2.6255 -2.6178 -2.5858 -2.5566 -2.5197 -2.4888 -2.4536 -2.3901 -2.3737 -2.3307 -2.3154 -2.2681 -2.2204 -2.1671 -2.1399 -2.1256 -2.0995 -2.0664 -1.9958 -1.9447 -1.8919 -1.8553 -1.8045 -1.7758 -1.7039 -1.6870 -1.5887 -1.5457 -1.4990 -1.3894 -1.3721 -1.3403 -1.2616 -1.2481 -1.2304 -1.2084 -1.1903 -1.1723 -1.1147 -1.1005 -1.0820 -1.0556 -1.0394 -1.0236 -1.0019 -0.9896 -0.9698 -0.9537 -0.9510 -0.9329 -0.9028 -0.8907 -0.8743 -0.8543 -0.8415 -0.8299 -0.7858 -0.7622 -0.7411 -0.7288 -0.7158 -0.6789 -0.6677 -0.6334 -0.6117 -0.5891 -0.5614 -0.5462 -0.5298 -0.5204 -0.5005 -0.4915 -0.4333 -0.4256 -0.3776 -0.3764 -0.3304 -0.3205 -0.2950 -0.2867 -0.2658 -0.2526 -0.2489 -0.2310 -0.2093 -0.2029 -0.1787 -0.1611 -0.1472 -0.1329 -0.1157 -0.0887 -0.0826 -0.0550 -0.0204 -0.0052 0.0042 0.0418 0.0621 0.1007 0.1207 0.1364 0.1670 0.1833 0.2335 0.2949 0.3336 0.3728 0.5290 0.6054 0.6738 0.6813 0.7214 0.8190 0.9046 1.0104 1.0401 1.0898 1.3894 1.4210 1.4700 1.5265 1.5734 1.6823 1.7606 1.8172 1.8792 1.8987 1.9095 2.0748 2.1382 2.6722 3.4648 3.7041 3.8381 3.9580 4.3291 4.4983 4.6179 4.7381 4.7800 4.8663 4.9858 5.1378 5.1708 5.3410 5.4353 5.6233 5.6676 5.7264 5.8362 5.9034 5.9318 5.9892 6.0019 6.1278 6.1753 6.1974 6.2638 6.3532 6.3967 6.4851 6.5950 6.6801 6.7490 6.8333 6.8768 7.0247 7.0706 7.1781 7.2011 7.2600 7.3194 7.3675 7.4642 7.5596 7.5895 7.6181 7.7617 7.8816 7.9380 7.9889 8.0800 8.1548</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 0.09621 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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 0.26920 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 0.00000 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="78"
                          units="nonsi2:ev.angstrom-1">0.200773 0.037288 -0.275823 0.169774 -0.067332 0.144218 -0.119155 -0.099091 0.270566 -0.006338 -0.062270 -0.001252 -0.038342 -0.173548 -0.075771 -0.008404 0.002345 0.015108 0.129604 0.004814 -1.543713 0.184856 -0.004022 0.081979 0.025214 0.169476 -0.184368 -0.022638 0.017128 -0.309290 -0.033982 -0.009344 -0.085327 -0.127170 0.099311 0.298303 0.060564 -0.009064 -0.044588 0.041148 0.061937 -0.304733 0.061429 0.008565 -0.035287 -0.022690 -0.012249 -0.391151 0.068251 0.017827 -0.062010 0.130104 0.172613 0.410866 0.038749 0.007169 -0.151295 0.003694 0.020303 -0.045792 -0.033400 -0.012852 -0.060313 -0.069718 0.022349 -0.000710 0.075249 -1.247018 -0.170529 -0.005296 0.139541 -0.061786 -0.039119 -0.022644 -0.099718 -0.104457 0.069074 -0.714482 -0.043867 0.030848 -0.059356 0.108677 0.028833 -0.633311 -0.005923 -0.006158 -0.042560 -0.058596 -0.104769 -0.047029 0.067815 1.185927 -0.122656 0.014229 0.057321 -0.074749 0.041026 0.000636 -0.151809 0.007076 -0.059157 -0.089588 0.002152 -0.023882 -0.044777 -1.596779 0.081173 -0.672895 -0.145236 -0.163040 -0.099026 1.357965 -0.004559 -0.510664 0.018083 0.000118 -0.069144 -0.051621 -0.001981 -0.059964 0.059864 -0.153648 -0.130598 0.151178 -0.334251 -0.360642 0.045794 -0.132862 0.160858 -0.031382 -0.106177 1.038139 0.000365 -0.016100 0.274326 -0.012307 -0.014801 0.038421 -0.008198 -0.002776 0.144075 -0.117242 -0.053817 2.122919 -0.149793 0.056186 -0.008500 -0.015602 -0.021294 0.044187 -0.018966 -0.312246 0.134060 -0.173564 0.163522 0.069007 -0.026123 -0.035190 0.107418 0.051199 0.272926 0.852967 -0.005006 -0.010585 0.372811 0.022227 -0.147617 0.173237 0.011715 -0.001954 0.020481 0.027749 0.001328 0.163103 0.149681 0.343412 0.065019 0.005919 -0.010695 0.021577 -0.106999 -0.411708 0.190700 0.478589 0.376818 -0.203540 0.052793 0.155846 0.161872 0.559662 0.078714 0.428532 0.012339 0.002846 0.108639 -0.412568 -0.068053 -0.350990 0.044610 0.012214 0.209048 -0.048553 0.015100 0.012694 0.012963 -0.040861 -0.053513 -0.009962 0.014420 0.052860 -0.018008 0.324409 0.140999 -0.446002 -0.172074 -0.050089 -0.043126 0.039973 0.058479 -0.568533 -0.220296 0.159455 -0.013994 0.002010 0.004666 0.398998 0.180846 -0.076182 -0.003895 0.008042 0.050029 -0.021914 -0.007349 0.053853 -0.012969 -0.279254 -0.284123 0.013010 0.005313 -0.005332 -0.107650 0.348066 0.163504 0.246479 0.066084 6.538202 0.173103 -0.067316 0.139534 -0.119951 -0.089720 0.266024 0.001375 -0.059364 -0.004937 -0.029198 -0.173377 -0.095348 0.000146 0.003859 0.004739 0.026727 0.003662 -0.476379 -0.099262 -0.031928 0.045446 0.034397 0.170455 -0.198179 -0.020352 0.014034 -0.321235 -0.015888 -0.003070 -0.013499 -0.128830 0.093990 0.290581 0.015858 -0.150094 0.015222 0.039519 0.060589 -0.339835 0.120851 0.000398 -0.038730 -0.027052 -0.006875 -0.401239 0.007036 0.167336 0.019821 0.132245 0.175219 0.407699 0.020020 0.016411 -0.008902 0.006027 0.008695 -0.029899 -0.009071 -0.012241 -0.084953 0.031929 0.011001 0.011586 0.084891 -0.414240 -0.067545 -0.012742 0.136702 -0.075219 -0.014088 -0.018266 0.013632 -0.100064 0.068569 -0.723112 -0.006715 0.026125 0.011664 0.105664 0.026763 -0.639406 -0.018735 0.000481 -0.127623 -0.067991 -0.105438 -0.045384 0.074686 0.441115 -0.061285 0.003305 0.132283 -0.045445 0.026594 -0.021583 -0.029313 -0.002645 -0.129657 -0.049570 0.007338 -0.013875 -0.031530 -0.103653 0.050130 -0.436868 -0.150164 -0.162277 -0.109643 0.629941 -0.007979 -0.311500 0.008061 -0.000348 0.007666 -0.121210 -0.003567 -0.036273 0.061870 -0.157448 -0.135463 0.145886 -0.365176 -0.334785 0.015387 -0.142025 -0.001981 -0.059115 -0.106348 1.065049 0.007055 0.002071 -0.020436 -0.010725 -0.017779 0.045928 0.011027 -0.004042 -0.026324 -0.414144 -0.091292 -5.225866 -0.150421 0.051751 -0.000158 -0.020565 -0.045167 0.037416 0.120793 -0.133128 0.035728 -0.172740 0.175774 0.078298 -0.014147 -0.047833 0.030924 0.077350 0.296837 0.865244 0.049880 -0.008315 0.070442 0.020572 -0.146011 0.157437 0.009858 0.002258 0.016040 -0.450829 -0.014459 0.227475 0.150523 0.341302 0.069205 0.021488 -0.052582 0.019633 -0.148146 -0.144529 0.099019 0.467006 0.409190 -0.188711 0.021199 0.172754 0.000273 0.539036 0.077583 0.431609 -0.004598 -0.002431 0.050393 -0.406690 -0.070086 -0.375752 0.020065 0.006111 0.187175 -0.026264 -0.037924 -0.066455 0.012703 -0.037208 -0.047785 -0.014500 0.036634 0.039049 0.131174 0.158825 0.032717 -0.436405 -0.184392 -0.047928 -0.027300 0.045475 0.005880 -0.542999 -0.242511 0.160825 0.007664 0.005461 0.039487 0.395854 0.179258 -0.077264 -0.005950 -0.000935 0.040504 0.005600 -0.000414 0.003711 -0.012497 -0.277652 -0.282047 0.022915 0.038038 0.001600 -0.145452 0.127682 0.050928 0.201545 0.048757 3.859098 0.172242 -0.067630 0.140969 -0.119699 -0.092501 0.267306 -0.000712 -0.060540 -0.004171 -0.031818 -0.173105 -0.090047 -0.002350 0.003115 0.006850 0.055927 0.005160 -0.777340 -0.016648 -0.023250 0.056292 0.031680 0.169595 -0.194539 -0.021018 0.014901 -0.318033 -0.021072 -0.004254 -0.035131 -0.128262 0.095045 0.293037 0.029526 -0.108818 -0.003764 0.040246 0.060905 -0.330435 0.104103 0.002661 -0.037856 -0.025566 -0.008020 -0.398390 0.025750 0.122816 -0.005239 0.131643 0.173998 0.408547 0.025644 0.015699 -0.049812 0.005175 0.011803 -0.034908 -0.016475 -0.011676 -0.076159 0.000426 0.014416 0.008416 0.082288 -0.664475 -0.106668 -0.010438 0.137030 -0.071660 -0.020979 -0.020893 -0.019092 -0.101256 0.068620 -0.720925 -0.017515 0.029078 -0.009504 0.106620 0.027247 -0.637827 -0.014596 -0.001566 -0.101309 -0.065256 -0.105369 -0.045921 0.072107 0.662494 -0.085208 0.006976 0.110813 -0.054057 0.030596 -0.016807 -0.066094 0.000369 -0.108532 -0.060371 0.006239 -0.016123 -0.035343 -0.552598 0.057401 -0.518497 -0.148256 -0.162610 -0.106127 0.839700 -0.006995 -0.379679 0.010872 0.000094 -0.015315 -0.101154 -0.002795 -0.043010 0.061379 -0.156051 -0.134221 0.147494 -0.356324 -0.342370 0.024420 -0.141567 0.044391 -0.051587 -0.106363 1.056944 0.005424 -0.004982 0.067302 -0.011175 -0.016747 0.044065 0.005013 -0.002125 0.038365 -0.304586 -0.069505 -2.389520 -0.150449 0.052104 -0.002532 -0.019047 -0.037696 0.039625 0.079519 -0.189180 0.065252 -0.173006 0.170869 0.075510 -0.018324 -0.045082 0.053337 0.070219 0.288603 0.861665 0.031770 -0.009591 0.168977 0.021118 -0.146498 0.162813 0.010206 0.000620 0.017031 -0.289903 -0.007157 0.204868 0.150602 0.341387 0.067874 0.016966 -0.040813 0.019228 -0.134710 -0.227577 0.128799 0.470705 0.399494 -0.193543 0.032107 0.171222 0.047623 0.547319 0.077693 0.430547 0.000428 -0.000176 0.067265 -0.408447 -0.069512 -0.368320 0.028947 0.004548 0.193839 -0.030880 -0.020509 -0.042639 0.012493 -0.037642 -0.049592 -0.013214 0.030194 0.043782 0.086198 0.214353 0.066067 -0.439505 -0.179821 -0.048770 -0.034303 0.043970 0.021135 -0.552896 -0.234684 0.159987 0.000883 0.004080 0.029452 0.397017 0.179367 -0.078014 -0.005053 0.001839 0.044149 -0.000714 -0.002546 0.017748 -0.012341 -0.277870 -0.282098 0.019864 0.028249 -0.000860 -0.133955 0.195736 0.086753 0.152173 0.042841 1.664924 0.173925 -0.066184 0.135172 -0.117922 -0.089424 0.262781 0.003140 -0.058599 -0.005041 -0.026663 -0.176603 -0.098827 -0.000484 0.004334 0.005154 0.011222 0.000290 -0.279465 -0.146373 -0.030426 0.039858 0.037106 0.174546 -0.200303 -0.020311 0.014277 -0.327245 -0.006892 -0.002000 0.006339 -0.127602 0.100486 0.285827 0.006496 -0.158691 0.030188 0.039309 0.060838 -0.342682 0.120710 -0.000183 -0.036521 -0.031190 -0.010666 -0.402800 -0.006276 0.178545 0.038911 0.131021 0.180518 0.407669 0.014253 0.011393 0.017578 0.006261 0.006470 -0.026256 -0.004868 -0.010751 -0.086367 0.054156 0.008704 0.012425 0.081744 -0.217480 -0.039517 -0.015109 0.139650 -0.077764 -0.006704 -0.011933 0.034876 -0.097588 0.069032 -0.724444 0.003009 0.018600 0.025061 0.104177 0.026959 -0.642909 -0.020096 0.001906 -0.138058 -0.071277 -0.105114 -0.047885 0.073041 0.261912 -0.038224 0.002461 0.131227 -0.037329 0.020263 -0.018276 -0.006729 -0.004318 -0.127952 -0.037949 0.007166 -0.010516 -0.027427 0.112558 0.040774 -0.367471 -0.150965 -0.162218 -0.115405 0.487559 -0.009383 -0.252288 0.005914 -0.000495 0.015762 -0.122284 -0.003464 -0.029690 0.061249 -0.160925 -0.135748 0.146036 -0.359928 -0.333801 0.011792 -0.128788 -0.035293 -0.062053 -0.107334 1.064951 0.019405 0.005124 -0.097866 -0.019497 -0.019141 0.045028 0.012335 -0.005032 -0.086887 -0.322938 -0.070981 -0.381915 -0.149751 0.060135 -0.000153 -0.016103 -0.042578 0.031783 0.138825 -0.085226 0.022181 -0.172027 0.183560 0.078079 -0.008482 -0.044713 0.016404 0.081242 0.302244 0.866329 0.042465 -0.005172 -0.024803 0.029359 -0.145579 0.146320 0.008717 0.001905 0.012906 -0.500298 -0.017797 0.236458 0.149589 0.342675 0.068282 0.021010 -0.053805 0.019130 -0.148979 -0.084753 0.084119 0.465101 0.405435 -0.189711 0.014400 0.151532 -0.036863 0.524212 0.077967 0.432356 -0.006659 -0.004738 0.041674 -0.410188 -0.072344 -0.374358 0.014737 0.006693 0.164354 -0.025784 -0.047424 -0.075049 0.013676 -0.045765 -0.047741 -0.011845 0.035474 0.030745 0.146732 0.107987 0.013649 -0.434492 -0.191277 -0.049231 -0.021397 0.040777 -0.004111 -0.526641 -0.248795 0.160302 0.010027 0.006874 0.042885 0.397360 0.179316 -0.077465 -0.006033 -0.002105 0.036433 0.006087 0.000759 -0.004317 -0.013128 -0.279890 -0.282707 0.020608 0.041023 0.002376 -0.149412 0.071666 0.027351 0.087976 0.030575 0.186899 0.176823 -0.066663 0.135243 -0.119449 -0.082238 0.263464 0.005882 -0.057452 -0.005735 -0.023849 -0.176282 -0.105154 0.002361 0.004870 0.001545 -0.014332 0.009243 0.156917 -0.256551 -0.036660 0.026179 0.039936 0.174811 -0.204061 -0.019233 0.012982 -0.333050 0.002670 0.002393 0.038906 -0.128941 0.093154 0.284850 -0.013434 -0.205084 0.058516 0.038712 0.060367 -0.346947 0.134615 -0.001128 -0.035531 -0.030923 -0.007893 -0.405416 -0.030954 0.228373 0.076862 0.132254 0.179987 0.406980 0.003301 0.007201 0.074647 0.006918 -0.000008 -0.018333 0.004435 -0.009178 -0.102589 0.102338 0.003867 0.014692 0.082041 0.156041 0.014466 -0.017216 0.138205 -0.082698 0.004418 -0.004608 0.079109 -0.097124 0.068801 -0.727073 0.020051 0.009680 0.052548 0.103042 0.026429 -0.642086 -0.025081 0.004808 -0.173045 -0.075197 -0.106142 -0.047703 0.072616 -0.070960 0.002503 -0.000398 0.150842 -0.025943 0.009527 -0.018107 0.043906 -0.009721 -0.146263 -0.019014 0.007364 -0.003248 -0.020281 0.654970 0.024001 -0.245269 -0.154771 -0.161564 -0.118172 0.199346 -0.010761 -0.145685 0.001353 -0.000761 0.042012 -0.139281 -0.003405 -0.018378 0.062292 -0.161120 -0.137244 0.142278 -0.371507 -0.322724 0.001804 -0.111016 -0.100967 -0.071393 -0.106053 1.074878 0.034394 0.012360 -0.245039 -0.014355 -0.019646 0.050167 0.015097 -0.003833 -0.233909 -0.300883 -0.067213 0.949677 -0.150727 0.054014 0.004772 -0.014231 -0.045597 0.023212 0.189606 0.011026 -0.018707 -0.171811 0.186825 0.083238 -0.003896 -0.044871 -0.016559 0.090086 0.312709 0.867772 0.048700 -0.000015 -0.202226 0.024048 -0.144916 0.141510 0.007387 0.002654 0.007659 -0.692141 -0.024759 0.273153 0.150534 0.341238 0.071186 0.024986 -0.064856 0.016527 -0.159889 0.032258 0.043772 0.459916 0.417750 -0.183282 0.003458 0.129427 -0.106052 0.515166 0.076981 0.436478 -0.014296 -0.007402 0.019365 -0.405960 -0.072494 -0.394537 0.004973 0.003821 0.144987 -0.025275 -0.073228 -0.104629 0.012766 -0.039427 -0.044247 -0.011337 0.039637 0.020400 0.195357 0.012382 -0.033851 -0.430863 -0.194612 -0.047161 -0.009719 0.036860 -0.023694 -0.516064 -0.257813 0.163550 0.018430 0.010505 0.055028 0.395796 0.178572 -0.079220 -0.007000 -0.006081 0.031148 0.012934 0.003512 -0.023373 -0.012570 -0.277695 -0.280627 0.021605 0.050412 0.004462 -0.155694 -0.037013 -0.022971 0.089702 0.032439 0.353709 0.178381 -0.067698 0.137589 -0.121273 -0.077261 0.264702 0.005842 -0.057353 -0.006394 -0.025054 -0.174838 -0.105372 -0.003358 0.002829 0.002310 0.000169 0.009770 0.184125 -0.226431 -0.032069 0.014399 0.038359 0.173277 -0.203407 -0.018480 0.012642 -0.340617 0.010813 0.001939 0.039762 -0.129605 0.084056 0.286748 -0.017522 -0.164505 0.065550 0.039024 0.060523 -0.340044 0.103215 -0.001272 -0.036599 -0.025688 -0.004522 -0.404897 -0.036289 0.185521 0.084717 0.132979 0.176166 0.404621 0.003412 0.003483 0.077167 0.006088 -0.009378 -0.013524 0.004363 -0.007281 -0.086839 0.095181 0.003525 0.012808 0.076026 0.201026 0.025073 -0.015308 0.137239 -0.084847 0.003296 -0.006854 0.077620 -0.098213 0.068638 -0.727544 0.018835 0.012364 0.051884 0.103442 0.026296 -0.639056 -0.020561 0.005067 -0.149761 -0.075177 -0.107092 -0.050086 0.068800 -0.129082 0.011948 0.001510 0.119898 -0.028519 0.007717 -0.014940 0.050037 -0.006501 -0.115760 -0.021034 0.005411 0.007774 -0.015208 0.526452 0.018417 -0.175547 -0.156696 -0.161222 -0.116765 0.141997 -0.007783 -0.111769 -0.000575 -0.001381 0.030655 -0.110400 -0.003967 -0.021986 0.063098 -0.158326 -0.139994 0.140690 -0.375015 -0.323494 -0.001559 -0.111250 -0.087480 -0.065207 -0.105333 1.068599 0.016237 0.012452 -0.239217 -0.007373 -0.019172 0.050325 0.013460 -0.003447 -0.230193 -0.273035 -0.064862 0.723837 -0.150505 0.046723 0.006001 -0.007846 -0.033181 0.017196 0.164505 0.037166 -0.029985 -0.171732 0.183877 0.085264 0.002644 -0.038561 -0.022866 0.084589 0.311602 0.858153 0.051379 -0.000136 -0.206967 0.016838 -0.144313 0.145885 0.005427 0.000421 -0.002149 -0.500223 -0.023000 0.229880 0.150520 0.340352 0.072071 0.020195 -0.057894 0.013341 -0.148438 0.038000 0.035118 0.458601 0.421534 -0.186048 0.000106 0.128856 -0.094065 0.523611 0.077047 0.439406 -0.013130 -0.008786 0.011860 -0.401627 -0.070528 -0.416781 0.001915 0.001987 0.144597 -0.036765 -0.059920 -0.110294 0.012712 -0.031016 -0.043494 -0.005407 0.030057 0.014516 0.170049 -0.017794 -0.048150 -0.430297 -0.191573 -0.045982 -0.004947 0.030227 -0.028297 -0.524486 -0.257242 0.164931 0.015377 0.008948 0.055243 0.394294 0.178436 -0.082285 -0.005481 -0.005959 0.030553 0.005231 0.002931 -0.021289 -0.012754 -0.275122 -0.278239 0.017231 0.045733 0.004519 -0.141778 -0.042549 -0.029638 0.103361 0.040937 0.866342 0.184475 -0.067490 0.133751 -0.120690 -0.069080 0.265033 0.005857 -0.056441 -0.002582 -0.024561 -0.179638 -0.101502 -0.020177 -0.005012 0.012060 0.038594 0.007161 0.273007 -0.140359 -0.020083 -0.018274 0.038200 0.179448 -0.197376 -0.017334 0.013417 -0.360194 0.035368 -0.000890 0.053452 -0.129135 0.081317 0.284237 -0.033096 -0.041422 0.086820 0.038857 0.060971 -0.323487 0.015433 0.002274 -0.033347 -0.024736 -0.010643 -0.400698 -0.052178 0.050673 0.111737 0.132499 0.180013 0.405072 0.003980 -0.011651 0.088664 0.004245 -0.029352 0.002313 0.004837 -0.000978 -0.027603 0.075788 0.003043 0.007025 0.059514 0.341574 0.059296 -0.013631 0.143276 -0.085940 0.000472 -0.011111 0.075632 -0.096519 0.069415 -0.725370 0.016129 0.018129 0.051447 0.101726 0.026813 -0.634643 -0.007087 0.005017 -0.078386 -0.079172 -0.108651 -0.058647 0.063075 -0.310579 0.043829 0.005912 0.023256 -0.033099 0.004207 -0.002575 0.071810 -0.000842 -0.027031 -0.024307 -0.000848 0.031416 -0.000100 0.209562 -0.000648 0.043282 -0.162605 -0.160966 -0.120965 -0.068391 -0.001157 -0.012547 -0.007151 -0.003069 -0.000530 -0.025816 -0.003556 -0.032870 0.062707 -0.160926 -0.140085 0.139916 -0.351045 -0.330285 -0.015587 -0.094370 -0.062694 -0.050482 -0.106375 1.050545 -0.028843 0.011631 -0.247226 -0.009069 -0.021416 0.050447 -0.002859 0.004193 -0.215540 -0.210038 -0.082552 0.041453 -0.148150 0.048713 0.008088 0.010854 0.003034 -0.006130 0.094004 0.146001 -0.068478 -0.169713 0.194104 0.087354 0.026488 -0.014105 -0.041739 0.072594 0.316231 0.833900 0.045374 0.004984 -0.237917 0.018268 -0.143720 0.130756 0.002994 -0.005641 -0.017042 0.062836 -0.007052 0.122259 0.148572 0.341771 0.073441 0.006642 -0.031234 0.006584 -0.115897 0.089413 0.000673 0.458090 0.400797 -0.196126 -0.016278 0.106713 -0.069058 0.499087 0.077571 0.447529 -0.006993 -0.011574 -0.009334 -0.403526 -0.072026 -0.446541 -0.012024 0.005477 0.100407 -0.065640 -0.010038 -0.124697 0.014614 -0.031932 -0.041438 0.013984 -0.002953 -0.008231 0.094722 -0.142343 -0.091514 -0.429810 -0.200644 -0.045429 0.016280 0.006232 -0.042591 -0.496190 -0.265912 0.171899 0.007339 0.007963 0.053925 0.395530 0.178872 -0.082564 -0.002132 -0.004865 0.022574 -0.025307 0.002897 -0.013614 -0.014209 -0.275882 -0.277896 0.000902 0.027962 0.012961 -0.086811 -0.094080 -0.060969 0.186267 0.074444 1.925903 0.198267 -0.069882 0.131612 -0.122100 -0.048438 0.267595 0.005530 -0.055795 0.002605 -0.023908 -0.186396 -0.094805 -0.054315 -0.018154 0.028566 0.124476 0.006964 0.455368 0.030245 0.004626 -0.080216 0.037088 0.186886 -0.185968 -0.014662 0.013168 -0.398406 0.082413 -0.006345 0.074976 -0.129211 0.062047 0.281746 -0.072007 0.210125 0.131541 0.039268 0.060409 -0.290832 -0.157691 0.003849 -0.029762 -0.018712 -0.015595 -0.392688 -0.091002 -0.214357 0.163030 0.132845 0.179737 0.404104 0.005866 -0.044757 0.111588 -0.000669 -0.071531 0.031854 0.004661 0.009228 0.110214 0.036383 0.000772 -0.005167 0.035777 0.627259 0.141959 -0.009444 0.150134 -0.089253 -0.003736 -0.020179 0.070130 -0.094870 0.069457 -0.722260 0.010683 0.030774 0.048074 0.098409 0.026408 -0.621547 0.017690 0.004316 0.050536 -0.085231 -0.113409 -0.074915 0.061112 -0.684925 0.119813 0.017724 -0.160251 -0.045896 -0.001675 0.024164 0.118311 0.011974 0.144537 -0.030006 -0.015021 0.083116 0.030046 -0.183829 -0.033470 0.521359 -0.175445 -0.160651 -0.123959 -0.715543 0.018276 0.118164 -0.020500 -0.007694 -0.063757 0.144504 -0.002388 -0.054572 0.062780 -0.162352 -0.141888 0.136452 -0.310642 -0.341730 -0.042639 -0.058113 -0.023509 -0.021843 -0.107197 1.015387 -0.117586 0.013994 -0.265837 0.001232 -0.024956 0.052192 -0.024989 0.012895 -0.188505 -0.191826 -0.115499 -1.358291 -0.145802 0.039436 0.012804 0.046600 0.072840 -0.046673 -0.052439 0.371216 -0.144762 -0.166970 0.201826 0.093071 0.075486 0.041158 -0.077878 0.049518 0.320749 0.784844 0.043147 0.010539 -0.341439 0.008200 -0.143417 0.109024 -0.006084 -0.021115 -0.057496 1.228208 0.006873 -0.010565 0.147421 0.343762 0.076288 -0.016373 0.020842 -0.011858 -0.053787 0.176315 -0.070759 0.454434 0.363033 -0.214232 -0.052316 0.070560 -0.026716 0.470659 0.077129 0.464050 -0.003395 -0.018467 -0.049752 -0.402014 -0.073130 -0.526938 -0.035776 0.005375 0.023708 -0.124106 0.108120 -0.159678 0.016095 -0.021186 -0.038288 0.049145 -0.063114 -0.053997 -0.054333 -0.402864 -0.179106 -0.426460 -0.209206 -0.043098 0.054797 -0.042296 -0.072904 -0.461117 -0.278097 0.183213 -0.011152 0.008049 0.054413 0.396673 0.178931 -0.088621 0.005240 -0.007092 0.010759 -0.095724 0.003896 0.001562 -0.015255 -0.275598 -0.275294 -0.030755 -0.004806 0.020895 0.015042 -0.184869 -0.127482 0.117334 0.047152 1.135205 0.189205 -0.068128 0.133359 -0.120740 -0.062457 0.266399 0.006088 -0.056187 -0.001607 -0.024859 -0.180997 -0.100387 -0.028221 -0.009118 0.016466 0.061238 0.001569 0.316920 -0.099363 -0.013664 -0.034857 0.037290 0.181212 -0.194900 -0.016121 0.013415 -0.369960 0.047452 -0.001902 0.059055 -0.129197 0.074551 0.284242 -0.042465 0.023080 0.097101 0.039215 0.061057 -0.314473 -0.032514 0.002985 -0.032722 -0.021032 -0.010662 -0.399171 -0.060756 -0.018932 0.124577 0.133513 0.178798 0.403965 0.005111 -0.020090 0.093337 0.003346 -0.040704 0.009785 0.004830 0.001620 0.004960 0.065991 0.002634 0.003575 0.051380 0.414675 0.078616 -0.011132 0.145224 -0.086978 0.000008 -0.013512 0.074237 -0.096232 0.069614 -0.725556 0.015128 0.021160 0.050207 0.101623 0.026859 -0.631818 -0.000274 0.004907 -0.044173 -0.080049 -0.110103 -0.062804 0.060660 -0.405035 0.061311 0.009546 -0.022971 -0.037107 0.003053 0.003827 0.082533 0.003879 0.015979 -0.027569 -0.003558 0.044901 0.006676 0.078813 -0.009836 0.164107 -0.166192 -0.160819 -0.121786 -0.203088 0.002283 0.030779 -0.009965 -0.004064 -0.017486 0.017129 -0.003418 -0.040252 0.063219 -0.160743 -0.141276 0.138861 -0.345828 -0.332660 -0.021344 -0.086932 -0.051266 -0.042852 -0.106455 1.042920 -0.052118 0.010838 -0.248876 -0.003171 -0.022256 0.050804 -0.008265 0.008376 -0.208475 -0.197217 -0.086903 -0.308806 -0.147281 0.044343 0.009105 0.020558 0.021118 -0.016149 0.060757 0.201828 -0.085954 -0.168628 0.194813 0.088795 0.036915 0.000696 -0.051663 0.067268 0.316904 0.822117 0.044939 0.005513 -0.259733 0.013411 -0.143593 0.126835 0.000908 -0.009801 -0.027628 0.340004 0.003130 0.073530 0.148730 0.342933 0.073627 0.001148 -0.017929 0.003533 -0.100023 0.110270 -0.014545 0.456793 0.396226 -0.200317 -0.025794 0.097492 -0.059159 0.493896 0.077359 0.451212 -0.003631 -0.012143 -0.020171 -0.401778 -0.071438 -0.470654 -0.017470 0.006277 0.086600 -0.082818 0.016870 -0.131071 0.015027 -0.027184 -0.040867 0.022546 -0.016892 -0.019769 0.055993 -0.206725 -0.112982 -0.427871 -0.201396 -0.044817 0.026323 -0.006969 -0.049791 -0.488601 -0.269104 0.174041 0.003861 0.009099 0.053572 0.396197 0.179138 -0.085545 -0.001224 -0.005192 0.019579 -0.041797 0.003224 -0.008259 -0.013726 -0.276223 -0.277433 -0.006318 0.019807 0.013558 -0.061500 -0.117448 -0.075765 -0.025783 0.016212 -0.269620 0.193655 -0.069481 0.133784 -0.121699 -0.055449 0.269597 0.004435 -0.056508 -0.001260 -0.024053 -0.181706 -0.096286 -0.023915 -0.008796 0.021294 0.047262 0.002252 0.220320 -0.027967 -0.001869 -0.047935 0.037659 0.181988 -0.189551 -0.016234 0.013840 -0.373771 0.040267 -0.003358 0.047640 -0.129435 0.067190 0.285579 -0.031178 0.075197 0.080652 0.039363 0.061149 -0.314608 -0.064816 0.001074 -0.039776 -0.019708 -0.012259 -0.394426 -0.049578 -0.073635 0.105946 0.133689 0.178335 0.405483 0.008684 -0.014918 0.063400 0.001435 -0.034224 0.013324 0.003389 0.004311 0.042647 0.037085 0.003292 -0.004755 0.016130 0.354888 0.071103 -0.010117 0.146493 -0.084247 -0.002244 -0.009197 0.050775 -0.096376 0.069878 -0.723013 0.008896 0.012989 0.039323 0.100734 0.027057 -0.625699 0.013726 0.003043 -0.016817 -0.080131 -0.112345 -0.061069 0.030494 -0.371568 0.060797 0.010741 -0.063457 -0.037715 0.003726 -0.002037 0.060875 0.006476 0.055043 -0.026201 -0.003970 0.041507 0.010717 -0.041730 -0.008268 0.201088 -0.170611 -0.160974 -0.120242 -0.229161 0.003861 0.039031 -0.011668 -0.004307 -0.030270 0.057945 -0.002526 -0.039869 0.062920 -0.160639 -0.139769 0.137200 -0.334006 -0.340771 -0.020380 -0.076961 -0.023093 -0.033311 -0.106588 1.025545 -0.057824 0.010402 -0.167108 0.002840 -0.023255 0.049575 -0.006100 0.007764 -0.113833 0.012267 -0.048669 1.053675 -0.146515 0.039127 0.009168 0.023077 0.039715 -0.023195 0.014389 0.174874 -0.082015 -0.167552 0.198597 0.087487 0.039590 0.011799 -0.034164 0.057515 0.314361 0.799847 0.049292 0.007255 -0.203981 0.007178 -0.143861 0.119432 -0.006142 -0.010000 -0.036007 0.457154 0.008899 0.039525 0.148272 0.345072 0.074132 -0.004246 0.007778 -0.004343 -0.059100 0.112055 -0.024990 0.456435 0.386033 -0.208499 -0.026642 0.088362 -0.031048 0.481607 0.077016 0.455829 -0.001474 -0.011597 -0.020631 -0.401027 -0.071110 -0.499520 -0.021506 0.003704 0.068666 -0.082966 0.046334 -0.113297 0.015420 -0.021415 -0.040531 0.024201 -0.033493 -0.026152 0.018968 -0.195804 -0.108219 -0.427420 -0.206373 -0.046095 0.025565 -0.013768 -0.035308 -0.474908 -0.268790 0.177971 -0.007018 0.006421 0.043831 0.397009 0.179500 -0.088421 0.003553 -0.004585 0.013764 -0.054307 0.002090 0.002976 -0.014312 -0.277320 -0.276988 -0.013030 -0.004577 0.014883 -0.024086 -0.127061 -0.074570 -0.055796 0.009435 -0.518334 0.193226 -0.068942 0.133256 -0.120686 -0.056966 0.267699 0.004729 -0.056375 -0.001048 -0.023562 -0.182321 -0.095740 -0.024126 -0.008913 0.022272 0.041129 0.002114 0.202820 -0.014312 0.000985 -0.049294 0.038410 0.182619 -0.188869 -0.016277 0.013763 -0.375437 0.039856 -0.003948 0.045291 -0.129046 0.070309 0.284514 -0.030323 0.085064 0.077584 0.039123 0.061042 -0.315989 -0.070433 0.000875 -0.041866 -0.021137 -0.013005 -0.393603 -0.047360 -0.085045 0.102138 0.133393 0.179416 0.405784 0.009989 -0.013092 0.058344 0.001548 -0.033659 0.014212 0.002864 0.004305 0.052128 0.032417 0.003343 -0.005353 0.009534 0.342328 0.070391 -0.010553 0.147163 -0.083619 -0.002554 -0.009049 0.046334 -0.095458 0.069913 -0.722355 0.007404 0.011670 0.037461 0.100506 0.027016 -0.626101 0.016481 0.002852 -0.012531 -0.080736 -0.111664 -0.061452 0.024471 -0.365150 0.061617 0.011029 -0.073948 -0.036321 0.004324 -0.003344 0.057020 0.007414 0.065439 -0.024838 -0.003892 0.041218 0.011743 -0.065653 -0.007937 0.210251 -0.169605 -0.161047 -0.120365 -0.234724 0.004071 0.040543 -0.011804 -0.004597 -0.032697 0.065437 -0.001857 -0.040865 0.062741 -0.161436 -0.139546 0.138490 -0.325569 -0.342414 -0.018801 -0.081309 -0.023039 -0.032593 -0.106921 1.023902 -0.059523 0.010799 -0.162630 -0.002356 -0.023547 0.049793 -0.006202 0.008456 -0.102940 0.050753 -0.042752 1.294025 -0.146271 0.043072 0.008425 0.023601 0.040907 -0.023765 0.011536 0.171701 -0.080838 -0.167527 0.198908 0.087190 0.039607 0.013974 -0.031672 0.058259 0.315634 0.798222 0.053270 0.006146 -0.199209 0.012584 -0.143790 0.118482 -0.008081 -0.010006 -0.038401 0.475805 0.009958 0.039879 0.148150 0.343606 0.073795 -0.004127 0.008963 -0.005441 -0.053509 0.114165 -0.023001 0.459380 0.377078 -0.210936 -0.028500 0.093980 -0.027838 0.484574 0.077253 0.456709 -0.001810 -0.011888 -0.018485 -0.402920 -0.071635 -0.492802 -0.020970 0.003654 0.063757 -0.090390 0.050379 -0.112598 0.015695 -0.025480 -0.041116 0.025278 -0.033876 -0.026488 0.015227 -0.193387 -0.106750 -0.429660 -0.206868 -0.046162 0.027299 -0.015057 -0.035189 -0.477476 -0.270440 0.178383 -0.008494 0.007591 0.046016 0.397191 0.179396 -0.089339 0.004749 -0.004634 0.016279 -0.054882 0.001877 0.005652 -0.014366 -0.276390 -0.278771 -0.013184 -0.004277 0.018796 -0.017793 -0.132317 -0.074659 -0.066938 0.010679 -0.323040 0.194981 -0.069687 0.133883 -0.121116 -0.053589 0.268777 0.003275 -0.056823 -0.001782 -0.022337 -0.181070 -0.093474 -0.015916 -0.005022 0.024027 0.015296 0.002640 0.099636 0.031563 0.005888 -0.054324 0.039629 0.180884 -0.185875 -0.016852 0.013778 -0.376602 0.027639 -0.003240 0.034453 -0.128422 0.066399 0.284920 -0.015622 0.106147 0.053608 0.039579 0.061103 -0.325983 -0.082384 0.000615 -0.048585 -0.021540 -0.012367 -0.390612 -0.030117 -0.107826 0.075440 0.132270 0.178525 0.406420 0.014395 -0.002395 0.023938 0.001598 -0.022348 0.014653 -0.000705 0.006272 0.075504 0.009042 0.004196 -0.012420 -0.023847 0.255878 0.061337 -0.011079 0.146341 -0.081677 -0.006666 -0.004549 0.023893 -0.095766 0.069906 -0.720904 0.000061 0.003972 0.026315 0.099818 0.027019 -0.622873 0.027244 0.000919 0.000543 -0.080336 -0.112909 -0.056924 -0.004831 -0.288952 0.054620 0.012783 -0.088804 -0.031958 0.007313 -0.012644 0.029359 0.008033 0.081927 -0.021102 -0.003347 0.030825 0.011810 -0.099239 -0.004060 0.202026 -0.171377 -0.161268 -0.117876 -0.204956 0.002365 0.036027 -0.011462 -0.005102 -0.033872 0.081479 -0.003193 -0.040202 0.062140 -0.160933 -0.138412 0.137730 -0.313579 -0.349573 -0.011679 -0.075310 0.007595 -0.026623 -0.107202 1.009088 -0.057078 0.012512 -0.060245 -0.001712 -0.024438 0.048286 0.002378 0.008186 -0.014762 0.087874 -0.035892 1.045073 -0.146379 0.040945 0.007810 0.022004 0.050826 -0.025700 -0.024531 0.115422 -0.073275 -0.167325 0.200621 0.085276 0.038285 0.016847 -0.012278 0.051164 0.310720 0.781444 0.067643 0.006124 -0.099475 0.011325 -0.144274 0.115270 -0.013604 -0.008802 -0.042355 0.447989 0.007096 0.014726 0.148020 0.343870 0.073438 -0.009203 0.026630 -0.010465 -0.011519 0.107736 -0.027671 0.457545 0.365587 -0.218241 -0.014322 0.092654 0.000419 0.481213 0.077204 0.458940 -0.001595 -0.010442 -0.016130 -0.403578 -0.071389 -0.508091 -0.020125 0.000849 0.038835 -0.085278 0.056802 -0.091679 0.015363 -0.023335 -0.041394 0.021550 -0.043834 -0.028815 -0.012836 -0.143123 -0.092885 -0.427722 -0.210147 -0.048355 0.017762 -0.017403 -0.014823 -0.474375 -0.266983 0.181012 -0.014950 0.005784 0.036545 0.397542 0.179662 -0.092342 0.009350 -0.004779 0.011255 -0.050434 0.000934 0.014151 -0.014631 -0.276383 -0.277144 -0.015065 -0.021789 0.015725 0.016542 -0.127406 -0.061882 -0.080463 0.022066 0.252116 0.198418 -0.070666 0.137092 -0.120792 -0.047889 0.269314 0.000313 -0.057401 -0.003931 -0.018442 -0.177391 -0.088499 0.008036 -0.001904 0.031553 -0.060097 0.010231 -0.184454 0.165716 0.022375 -0.068470 0.044065 0.176664 -0.178741 -0.017990 0.013645 -0.382502 -0.009087 0.000125 0.001470 -0.128172 0.060512 0.285091 0.029627 0.167883 -0.011869 0.039227 0.060680 -0.363167 -0.117003 0.001521 -0.070679 -0.024533 -0.011367 -0.382593 0.021880 -0.174190 0.002404 0.131856 0.177208 0.409278 0.027077 0.028251 -0.083632 0.001718 0.010700 0.014034 -0.007999 0.009469 0.146639 -0.056403 0.006422 -0.030993 -0.118015 0.015066 0.036680 -0.012375 0.143898 -0.074909 -0.017922 0.008772 -0.046156 -0.095177 0.070299 -0.716452 -0.021462 -0.020500 -0.004346 0.098420 0.027239 -0.615943 0.057013 -0.003224 0.035261 -0.079670 -0.115429 -0.046509 -0.090485 -0.079333 0.031458 0.015262 -0.136147 -0.018728 0.016108 -0.037074 -0.054143 0.010216 0.133444 -0.009294 0.001725 0.001852 0.015228 -0.194488 0.009293 0.185538 -0.173461 -0.161643 -0.110736 -0.113974 0.001682 0.031228 -0.011280 -0.004926 -0.038087 0.127885 -0.005899 -0.048538 0.061150 -0.159865 -0.135487 0.137530 -0.272821 -0.369772 0.012055 -0.051989 0.087663 -0.010997 -0.106626 0.968452 -0.050464 0.011473 0.202751 0.000814 -0.025877 0.045195 0.028752 0.006040 0.204738 0.156936 -0.031914 0.325053 -0.146615 0.035201 0.004621 0.019765 0.072143 -0.030836 -0.113157 -0.031354 -0.038209 -0.165418 0.204772 0.080574 0.033185 0.024625 0.043716 0.036731 0.305628 0.736795 0.092989 0.001090 0.172172 0.007961 -0.144461 0.105095 -0.031092 -0.004376 -0.055467 0.359249 0.002512 -0.030417 0.148436 0.345137 0.072166 -0.016483 0.079935 -0.021850 0.103007 0.078842 -0.030799 0.460459 0.325888 -0.238323 0.011145 0.076592 0.084638 0.475361 0.076273 0.465435 -0.003845 -0.009803 -0.005375 -0.407061 -0.071165 -0.535183 -0.017972 -0.005196 -0.042963 -0.059800 0.074328 -0.016507 0.014975 -0.017249 -0.044042 0.009606 -0.067007 -0.030263 -0.088734 -0.016217 -0.042392 -0.428310 -0.218814 -0.052048 -0.000286 -0.023281 0.036102 -0.467230 -0.264891 0.188162 -0.037152 -0.002224 -0.003955 0.399434 0.179579 -0.102838 0.020935 0.000649 -0.002887 -0.054988 -0.000213 0.040352 -0.014476 -0.277484 -0.280589 -0.014652 -0.066574 0.022332 0.112984 -0.105615 -0.026823 -0.079685 0.025397 0.349155 0.199118 -0.070563 0.137483 -0.120740 -0.046610 0.269413 -0.000207 -0.057327 -0.004043 -0.017606 -0.176729 -0.086858 0.011682 -0.001048 0.033298 -0.076384 0.010769 -0.232391 0.189750 0.028938 -0.070837 0.044993 0.176223 -0.176708 -0.018251 0.013806 -0.382345 -0.014676 0.000476 -0.003480 -0.127899 0.060066 0.285137 0.037951 0.178376 -0.023366 0.039208 0.060731 -0.370331 -0.122455 0.001688 -0.075350 -0.025306 -0.011027 -0.380994 0.031217 -0.185056 -0.009521 0.131484 0.177254 0.409963 0.029774 0.033429 -0.101696 0.001851 0.016350 0.014401 -0.009255 0.010240 0.159619 -0.067144 0.006794 -0.034448 -0.132913 -0.023653 0.033471 -0.012835 0.143867 -0.073350 -0.020018 0.011708 -0.058503 -0.094997 0.070572 -0.715521 -0.025574 -0.025260 -0.010102 0.098008 0.027404 -0.614336 0.062196 -0.003871 0.038740 -0.079565 -0.115544 -0.045110 -0.105418 -0.044336 0.027416 0.015456 -0.144111 -0.014749 0.017474 -0.041729 -0.069051 0.010822 0.143225 -0.007633 0.002339 -0.002811 0.016530 -0.210028 0.010711 0.184318 -0.173670 -0.161513 -0.109322 -0.097053 0.000763 0.031390 -0.011273 -0.005218 -0.038489 0.135677 -0.006046 -0.050902 0.060872 -0.159489 -0.134747 0.137515 -0.265947 -0.372945 0.015177 -0.053356 0.100307 -0.008474 -0.106264 0.962913 -0.051478 0.011028 0.238694 -0.000444 -0.026376 0.044852 0.034071 0.002623 0.236899 0.168132 -0.034848 0.217101 -0.146324 0.036370 0.004042 0.018446 0.075882 -0.031178 -0.126773 -0.054241 -0.033339 -0.165271 0.204885 0.079913 0.031519 0.025969 0.052725 0.034248 0.304706 0.730027 0.098346 0.002304 0.214176 0.009093 -0.144441 0.103750 -0.034021 -0.003368 -0.057674 0.345138 0.002615 -0.036359 0.148129 0.346040 0.071948 -0.017785 0.087343 -0.023707 0.121634 0.073692 -0.032274 0.459603 0.319526 -0.241448 0.016957 0.081252 0.098589 0.475234 0.076238 0.466574 -0.005528 -0.009319 -0.003713 -0.408149 -0.070819 -0.539612 -0.016656 -0.007192 -0.055900 -0.059224 0.071380 -0.007363 0.014912 -0.018247 -0.044881 0.007679 -0.070410 -0.029873 -0.099502 0.005465 -0.034220 -0.426881 -0.219320 -0.052481 -0.004162 -0.023881 0.043619 -0.467023 -0.263774 0.189527 -0.038807 -0.005496 -0.008390 0.399751 0.179837 -0.105270 0.022764 0.001718 -0.004370 -0.055488 -0.001355 0.045213 -0.014640 -0.278062 -0.280606 -0.014375 -0.072757 0.022348 0.125733 -0.106244 -0.023762 -0.090092 0.021167 0.333117 0.197479 -0.070385 0.141120 -0.121285 -0.046617 0.269128 0.000285 -0.057218 -0.004108 -0.014529 -0.169612 -0.093108 0.020757 0.000796 0.027418 -0.055132 0.014671 -0.169423 0.131260 0.020561 -0.057490 0.047986 0.168877 -0.182718 -0.018554 0.013062 -0.386330 -0.025258 0.001841 -0.013051 -0.128992 0.057857 0.285143 0.039810 0.131298 -0.030406 0.038335 0.060378 -0.385579 -0.083683 0.000092 -0.051008 -0.026598 -0.003728 -0.385505 0.033576 -0.140199 -0.018669 0.132480 0.175121 0.409119 0.025741 0.028072 -0.094144 0.001713 0.019523 0.010962 -0.009523 0.007123 0.121419 -0.058252 0.004380 -0.032453 -0.128918 -0.024449 0.037291 -0.015245 0.136566 -0.075123 -0.016995 0.011984 -0.055693 -0.095232 0.070348 -0.717966 -0.023628 -0.024219 -0.010526 0.098101 0.026990 -0.618121 0.056009 -0.002861 0.028524 -0.079304 -0.115478 -0.037321 -0.103199 -0.025261 0.024051 0.008738 -0.095065 -0.002270 0.015970 -0.033803 -0.066200 0.007304 0.095583 0.006201 0.007025 -0.010374 0.012597 -0.094904 0.014732 0.168319 -0.172600 -0.161458 -0.107049 -0.086874 -0.003071 0.034562 -0.008389 -0.004116 -0.013438 0.097158 -0.005180 -0.039635 0.061386 -0.157935 -0.135426 0.135706 -0.281168 -0.368035 0.014264 -0.045098 0.082651 -0.019186 -0.105524 0.964963 -0.047858 0.008179 0.219885 0.001725 -0.026299 0.047097 0.031961 0.002286 0.188499 0.146161 -0.032765 0.189585 -0.147838 0.030850 0.004992 0.008239 0.054915 -0.021390 -0.115579 -0.077506 -0.020338 -0.165334 0.202868 0.080751 0.026708 0.015648 0.050731 0.043777 0.308553 0.737932 0.087361 -0.002318 0.209415 0.006462 -0.144335 0.109039 -0.023926 0.001260 -0.041587 0.216324 -0.002615 -0.026481 0.149167 0.343466 0.073148 -0.010101 0.066215 -0.017557 0.126572 0.063713 -0.031771 0.458951 0.334106 -0.236419 0.017885 0.074078 0.083035 0.481356 0.075905 0.465078 -0.012507 -0.008472 -0.004302 -0.405521 -0.069920 -0.539554 -0.014040 -0.006345 -0.049593 -0.030348 0.057313 0.007543 0.013920 -0.012792 -0.043087 -0.001339 -0.049048 -0.023145 -0.090174 0.036104 -0.023508 -0.426580 -0.218452 -0.051708 -0.006566 -0.014146 0.043427 -0.473580 -0.264361 0.188225 -0.029347 -0.009217 -0.016369 0.398079 0.179557 -0.107220 0.020109 0.001682 -0.005265 -0.030642 -0.001270 0.034912 -0.014035 -0.275353 -0.281157 -0.006070 -0.056349 0.023107 0.121920 -0.083340 -0.021744 -0.118740 0.006461 0.280646 0.193749 -0.068418 0.146809 -0.120587 -0.046726 0.265956 0.001999 -0.056777 -0.001978 -0.002688 -0.150557 -0.108046 0.047004 0.005701 0.008723 -0.003881 0.018447 0.026110 -0.036912 -0.004859 -0.018884 0.059544 0.150043 -0.196952 -0.020269 0.011511 -0.395317 -0.059027 0.005740 -0.046335 -0.130156 0.059299 0.282314 0.043683 -0.007082 -0.053725 0.036496 0.059208 -0.431862 0.036695 -0.003716 0.017527 -0.037145 0.014162 -0.396403 0.038644 -0.000903 -0.050210 0.133705 0.173718 0.410582 0.015365 0.010864 -0.069730 0.001918 0.032359 0.000772 -0.011710 -0.001086 0.007237 -0.032574 -0.003088 -0.025444 -0.112007 -0.030559 0.050412 -0.024685 0.117376 -0.077422 -0.009489 0.014380 -0.049132 -0.093506 0.070609 -0.725102 -0.018648 -0.023174 -0.013167 0.096977 0.026079 -0.629577 0.036093 0.000255 -0.003977 -0.079001 -0.114051 -0.016430 -0.099313 0.031732 0.012359 -0.005819 0.048624 0.039383 0.012640 -0.009522 -0.062666 -0.003062 -0.039953 0.044163 0.020199 -0.038185 0.002689 0.278548 0.022455 0.119260 -0.169055 -0.161187 -0.101590 -0.069756 -0.012286 0.043829 0.000812 -0.000244 0.064036 -0.023452 -0.002055 -0.001020 0.061767 -0.156152 -0.133579 0.132879 -0.301673 -0.358335 0.011748 -0.007344 0.034066 -0.051360 -0.102993 0.967404 -0.038254 0.000680 0.145918 -0.000088 -0.026848 0.051186 0.028475 -0.000403 0.033695 0.083850 -0.019719 0.135692 -0.151276 0.025008 0.005567 -0.021008 -0.010284 0.003546 -0.080598 -0.137149 0.009649 -0.165965 0.201180 0.078884 0.009588 -0.011965 0.045662 0.073158 0.320003 0.759054 0.051623 -0.009806 0.193272 0.008123 -0.143997 0.110672 0.001208 0.012776 -0.002882 -0.184811 -0.010495 0.023451 0.152004 0.340350 0.073463 0.016065 0.004468 0.002223 0.144852 0.036165 -0.021405 0.453446 0.353092 -0.225209 0.024938 0.033019 0.035732 0.482808 0.074529 0.458910 -0.031657 -0.004389 0.000041 -0.404569 -0.069975 -0.529119 -0.006238 -0.004017 -0.033812 0.053150 0.003236 0.062749 0.011684 -0.008029 -0.041496 -0.029040 0.010523 0.004159 -0.054108 0.127418 0.010531 -0.420763 -0.220350 -0.052957 -0.014585 0.008882 0.045633 -0.474749 -0.265196 0.183543 0.000814 -0.023063 -0.030908 0.396620 0.178614 -0.115276 0.010954 0.001393 -0.006447 0.045906 -0.000173 0.010362 -0.012235 -0.273186 -0.284924 0.016920 -0.012865 0.021858 0.096133 -0.015862 -0.018407 -0.128282 0.000289 0.258246 0.191664 -0.067982 0.149762 -0.120532 -0.047630 0.264100 0.002606 -0.056748 -0.002460 0.001128 -0.142824 -0.114811 0.056481 0.007814 0.002244 0.017493 0.023931 0.104668 -0.096448 -0.011231 -0.003625 0.063368 0.141864 -0.203579 -0.020677 0.010656 -0.400440 -0.069404 0.007004 -0.061560 -0.130696 0.059147 0.281280 0.044808 -0.057234 -0.062240 0.035826 0.058774 -0.450080 0.081581 -0.004817 0.043508 -0.039600 0.021608 -0.401444 0.039679 0.050796 -0.061823 0.134442 0.172135 0.409735 0.011375 0.004570 -0.061272 0.001953 0.035353 -0.003069 -0.010166 -0.004283 -0.037218 -0.023199 -0.006087 -0.023278 -0.105358 -0.033750 0.055739 -0.027707 0.109621 -0.079522 -0.006260 0.014375 -0.046599 -0.093222 0.070458 -0.728207 -0.017894 -0.022230 -0.014034 0.097112 0.025569 -0.634650 0.029539 0.001253 -0.015723 -0.078787 -0.113660 -0.009787 -0.098041 0.049234 0.008808 -0.012936 0.101146 0.051871 0.010141 -0.002221 -0.061348 -0.005629 -0.091352 0.059793 0.025603 -0.047479 -0.001112 0.426721 0.025150 0.097663 -0.167092 -0.161177 -0.099703 -0.069788 -0.015440 0.046913 0.004455 0.001824 0.092341 -0.066156 -0.000836 0.011422 0.062405 -0.154705 -0.134557 0.131776 -0.313030 -0.354167 0.008649 0.001151 0.017250 -0.062185 -0.102095 0.967642 -0.034652 -0.002883 0.117153 0.001429 -0.027003 0.052644 0.027584 -0.000987 -0.021784 0.064229 -0.014519 0.126771 -0.152291 0.020549 0.005688 -0.034652 -0.030096 0.010849 -0.069719 -0.160564 0.020178 -0.165837 0.199235 0.079310 0.003398 -0.022164 0.043963 0.083136 0.323949 0.767163 0.040194 -0.014260 0.185239 0.006523 -0.143939 0.115143 0.011787 0.018140 0.010364 -0.336585 -0.011307 0.049793 0.152766 0.338649 0.074104 0.023892 -0.017056 0.009588 0.150818 0.023432 -0.016775 0.450801 0.363152 -0.221639 0.022617 0.023471 0.020284 0.490092 0.074194 0.457121 -0.038360 -0.003191 0.001505 -0.402983 -0.069383 -0.524768 -0.003572 -0.003585 -0.026987 0.086874 -0.010783 0.081720 0.011124 -0.004015 -0.041027 -0.040557 0.031220 0.013363 -0.044244 0.157722 0.018203 -0.417812 -0.219692 -0.052821 -0.016635 0.017781 0.045945 -0.482108 -0.265204 0.182509 0.010605 -0.026993 -0.035387 0.395335 0.178227 -0.117918 0.007707 0.001998 -0.007145 0.069499 0.001407 -0.001695 -0.011690 -0.271837 -0.285525 0.024998 0.002172 0.025249 0.087544 0.007252 -0.017055 -0.142264 -0.019720 0.033341 0.190889 -0.066347 0.152428 -0.120626 -0.047519 0.263623 0.004986 -0.056736 0.004660 0.001734 -0.140487 -0.119630 0.024554 0.005074 -0.010467 0.050071 0.019069 0.139010 -0.062961 -0.005447 0.012841 0.062235 0.140582 -0.210294 -0.022683 0.011204 -0.418987 -0.034288 0.002780 -0.044634 -0.131569 0.060457 0.280545 0.021602 -0.039878 -0.043851 0.037776 0.058283 -0.449900 0.073758 -0.003375 0.066577 -0.040405 0.027461 -0.405770 0.019327 0.034387 -0.048979 0.135067 0.172148 0.409750 0.002197 -0.016785 -0.018455 -0.000675 0.007727 -0.003307 -0.007047 -0.005268 -0.037898 -0.028741 -0.007563 -0.019110 -0.051255 -0.036978 0.062035 -0.026755 0.102678 -0.081037 0.004996 0.013615 -0.029282 -0.092714 0.070616 -0.729239 -0.009812 -0.019189 -0.014369 0.096746 0.025019 -0.638790 0.019798 0.000898 0.021614 -0.081763 -0.112420 -0.016579 -0.045314 0.057297 0.012449 -0.015545 0.093363 0.051927 0.004696 0.015526 -0.027715 -0.008732 -0.082937 0.055124 0.018587 -0.019814 -0.003139 0.277939 0.020675 0.103560 -0.166056 -0.160704 -0.099956 -0.066699 -0.016379 0.072869 0.000155 0.002612 0.069666 -0.057795 0.000132 0.033676 0.062572 -0.153975 -0.134575 0.131880 -0.310944 -0.349848 -0.001493 0.017820 -0.006303 -0.064240 -0.102015 0.968061 -0.027652 -0.003567 0.025560 0.000086 -0.026351 0.053093 -0.000554 -0.001430 -0.051599 0.066292 0.002696 0.324841 -0.153048 0.019612 0.006460 -0.022041 -0.044998 0.018455 -0.057933 -0.101019 0.019469 -0.165042 0.197270 0.083635 0.000368 -0.013792 0.021434 0.088161 0.328041 0.774865 0.019840 -0.008973 0.133282 0.007711 -0.143732 0.113860 0.022879 0.012449 0.038068 -0.180044 0.000279 0.013259 0.153246 0.337837 0.074105 0.025735 -0.040217 0.015240 0.097706 -0.017254 -0.003724 0.447540 0.360694 -0.212857 0.011881 0.001706 -0.000673 0.489785 0.074984 0.456306 -0.029744 -0.004322 -0.004897 -0.403558 -0.069954 -0.521416 -0.003085 0.002185 -0.005433 0.088068 -0.016067 0.071101 0.011042 -0.003103 -0.040828 -0.024945 0.043669 0.022499 -0.040862 0.103293 0.013362 -0.414613 -0.217097 -0.048110 -0.007517 0.008379 0.016123 -0.480850 -0.265158 0.183297 0.021999 -0.024321 -0.034816 0.394628 0.177840 -0.121936 -0.001256 -0.001546 0.005157 0.055654 -0.005709 -0.009021 -0.011834 -0.270964 -0.290009 0.019983 0.031320 0.026291 0.039838 0.042377 -0.016089 -0.155970 -0.058179 -0.344756 0.190491 -0.063969 0.157853 -0.121406 -0.045562 0.264434 0.008923 -0.056664 0.015726 0.002461 -0.135927 -0.128260 -0.028886 -0.008276 -0.034620 0.105632 0.004160 0.202299 -0.003055 0.002397 0.047951 0.059994 0.137973 -0.222116 -0.025735 0.011983 -0.449446 0.021065 -0.002864 -0.026494 -0.133148 0.058634 0.280465 -0.017553 -0.010143 -0.015089 0.041516 0.057714 -0.448960 0.059699 0.000106 0.101886 -0.039157 0.039562 -0.413418 -0.015528 0.005177 -0.025652 0.136542 0.170089 0.408706 -0.012854 -0.051501 0.053022 -0.003459 -0.040233 -0.004192 -0.004684 -0.007389 -0.045320 -0.037233 -0.009421 -0.011666 0.045328 -0.041618 0.070760 -0.024383 0.090478 -0.084242 0.023110 0.012868 0.001255 -0.092491 0.070756 -0.730874 0.004198 -0.016784 -0.016635 0.096501 0.024124 -0.644526 0.004652 -0.001178 0.081341 -0.086062 -0.110938 -0.026998 0.049460 0.070361 0.018350 -0.019385 0.079518 0.050608 -0.005836 0.046963 0.025377 -0.014020 -0.067800 0.044852 0.008106 0.025485 -0.007184 0.042566 0.015314 0.110324 -0.165133 -0.159842 -0.099789 -0.052645 -0.018060 0.109585 -0.009911 0.005804 0.034975 -0.042038 0.001457 0.066135 0.063374 -0.151559 -0.135381 0.131504 -0.315169 -0.341277 -0.022692 0.053177 -0.045106 -0.066376 -0.101824 0.971619 -0.016097 -0.003721 -0.124073 -0.002099 -0.026041 0.055436 -0.042804 -0.001423 -0.106526 0.059961 0.031157 0.647427 -0.153611 0.018261 0.008822 -0.003849 -0.068882 0.032403 -0.037562 -0.000914 0.022090 -0.164069 0.191700 0.091185 -0.002771 -0.002946 -0.015579 0.095049 0.332459 0.785519 -0.014706 -0.009220 0.062038 0.009629 -0.143039 0.117317 0.040336 0.005304 0.075870 0.044830 0.013159 -0.044558 0.153602 0.333961 0.075455 0.027541 -0.084342 0.024917 0.009926 -0.083709 0.017119 0.442173 0.364730 -0.196692 -0.001211 -0.034518 -0.032924 0.492556 0.076215 0.453891 -0.020133 -0.006273 -0.016098 -0.400475 -0.069327 -0.523894 -0.001755 0.011679 0.031570 0.087371 -0.021096 0.060056 0.010921 -0.001435 -0.039297 -0.000141 0.068288 0.036012 -0.038131 0.023438 0.010991 -0.409431 -0.210199 -0.040350 0.002934 -0.001348 -0.026796 -0.481944 -0.263159 0.184796 0.042012 -0.019432 -0.032736 0.391445 0.177401 -0.127329 -0.014852 -0.005202 0.022032 0.038189 -0.015875 -0.019312 -0.011943 -0.266304 -0.294906 0.014050 0.082968 0.022334 -0.040420 0.098485 -0.011733 0.007629 0.042125 1.037000 0.190533 -0.062671 0.159077 -0.121215 -0.047675 0.263857 0.010265 -0.057165 0.015879 -0.001826 -0.141751 -0.126089 -0.047537 -0.009233 -0.035608 0.058210 -0.005143 0.142039 0.042660 0.004166 0.051757 0.054553 0.144106 -0.221161 -0.025821 0.012473 -0.450494 0.041526 -0.006128 -0.009897 -0.133532 0.061569 0.280158 -0.028689 0.009119 -0.003651 0.044012 0.057509 -0.437749 0.020152 0.002295 0.082985 -0.036042 0.036156 -0.411897 -0.020657 -0.016581 -0.014068 0.137060 0.170628 0.407952 -0.015846 -0.050322 0.067785 -0.003236 -0.045801 -0.001333 0.001254 -0.005675 -0.021194 -0.038317 -0.007865 -0.009181 0.076851 -0.024683 0.080294 -0.019406 0.091910 -0.082974 0.025936 0.013052 0.016859 -0.092694 0.070521 -0.728672 0.007760 -0.013991 -0.010559 0.097012 0.023511 -0.643814 0.002435 -0.004097 0.102204 -0.088828 -0.110332 -0.037003 0.084254 0.054387 0.030272 -0.012390 0.027443 0.032775 -0.007829 0.043794 0.040152 -0.010452 -0.020734 0.024154 -0.000920 0.039117 -0.005993 -0.032669 0.012126 0.104953 -0.164056 -0.159675 -0.101635 -0.044805 -0.013491 0.125563 -0.010226 0.005671 0.009903 -0.004263 0.001297 0.072259 0.063589 -0.151341 -0.136752 0.135108 -0.297510 -0.341121 -0.016236 0.044286 -0.032019 -0.054835 -0.102778 0.970542 -0.004385 -0.000191 -0.124302 -0.002732 -0.025317 0.052529 -0.054223 0.002684 -0.060523 -0.128324 -0.074423 -0.772824 -0.152659 0.020707 0.008228 0.010126 -0.051235 0.027996 -0.019119 0.026176 0.016041 -0.162520 0.191703 0.095578 -0.009336 0.008778 -0.020895 0.088373 0.330476 0.778006 0.013275 -0.008349 0.058733 0.010180 -0.142957 0.115932 0.038520 0.000148 0.076210 0.102318 0.020152 -0.067688 0.152772 0.336356 0.074283 0.014096 -0.072790 0.018895 -0.029094 -0.090269 0.021505 0.441138 0.347206 -0.192166 -0.003033 -0.024818 -0.014377 0.495615 0.077392 0.456055 -0.004215 -0.006338 -0.017914 -0.403055 -0.070217 -0.518918 -0.001848 0.013759 0.026687 0.069174 -0.012191 0.036259 0.012058 -0.004249 -0.041676 0.015426 0.049916 0.031329 -0.026881 -0.009784 0.005296 -0.406561 -0.209498 -0.035838 0.004941 -0.014319 -0.033897 -0.484144 -0.262637 0.188960 0.035447 -0.011734 -0.026113 0.391898 0.176842 -0.129425 -0.014750 -0.008388 0.023260 0.012007 -0.016268 -0.014247 -0.012692 -0.269540 -0.300600 0.001405 0.074091 0.017468 -0.057670 0.096505 -0.013400 -0.039584 0.010095 0.612258 0.190236 -0.062564 0.156973 -0.120379 -0.048324 0.262421 0.010034 -0.056914 0.016276 0.000427 -0.140605 -0.126356 -0.042221 -0.009036 -0.035327 0.072143 -0.000530 0.159343 0.027979 0.004196 0.050826 0.057325 0.142946 -0.221049 -0.025993 0.012307 -0.449672 0.035681 -0.004921 -0.014727 -0.132791 0.064075 0.278853 -0.025278 0.003432 -0.007521 0.043468 0.057454 -0.442158 0.032241 0.001855 0.087916 -0.039045 0.035910 -0.412260 -0.019141 -0.010492 -0.017410 0.136448 0.172070 0.408756 -0.014501 -0.050823 0.062990 -0.003135 -0.043639 -0.002504 -0.000259 -0.006307 -0.027276 -0.036870 -0.008558 -0.009533 0.068386 -0.029350 0.076539 -0.021960 0.092112 -0.082845 0.025347 0.012690 0.011765 -0.091757 0.070635 -0.729478 0.006833 -0.015366 -0.012530 0.096523 0.023718 -0.645201 0.003163 -0.003036 0.095560 -0.088049 -0.109938 -0.034556 0.073434 0.059564 0.026051 -0.013797 0.043077 0.039352 -0.006777 0.044156 0.035723 -0.011011 -0.034517 0.031474 0.001773 0.034572 -0.006378 -0.013681 0.014116 0.105472 -0.163561 -0.159789 -0.102105 -0.046296 -0.014118 0.120115 -0.011092 0.004856 0.018629 -0.015989 0.001591 0.071920 0.063344 -0.152477 -0.135900 0.134756 -0.295749 -0.342176 -0.017097 0.050413 -0.036503 -0.057642 -0.102743 0.971375 -0.004047 -0.002432 -0.123176 -0.007663 -0.026051 0.053356 -0.050417 0.001930 -0.070373 -0.074715 -0.039837 -0.332305 -0.152648 0.024689 0.007769 0.006856 -0.054413 0.028282 -0.021462 0.020789 0.020079 -0.162569 0.192718 0.093815 -0.009187 0.004915 -0.019325 0.090383 0.331950 0.780361 0.002725 -0.007751 0.056853 0.015497 -0.142999 0.113664 0.038522 0.000139 0.076575 0.084660 0.018274 -0.061760 0.152902 0.334812 0.074150 0.016859 -0.073677 0.019755 -0.021236 -0.088446 0.023147 0.442609 0.345301 -0.194817 -0.002699 -0.033264 -0.019901 0.492991 0.077123 0.455147 -0.007219 -0.006700 -0.017197 -0.403655 -0.070795 -0.514480 -0.001065 0.012587 0.023306 0.072061 -0.017372 0.043070 0.011816 -0.008383 -0.041424 0.012075 0.053415 0.031448 -0.026535 -0.003342 0.008822 -0.408134 -0.210715 -0.037372 0.004817 -0.009442 -0.031899 -0.481418 -0.263947 0.188070 0.036132 -0.012096 -0.026993 0.391928 0.176899 -0.128418 -0.014795 -0.007476 0.021047 0.018594 -0.015988 -0.015091 -0.012309 -0.268306 -0.300177 0.003967 0.074305 0.017926 -0.055254 0.097541 -0.009058 -0.028801 0.009635 0.605098 0.190817 -0.062237 0.159012 -0.121481 -0.049263 0.264719 0.010270 -0.057523 0.012571 -0.006398 -0.148557 -0.120676 -0.044811 -0.003062 -0.024208 -0.002110 -0.006833 0.078221 0.057353 0.004032 0.043998 0.049926 0.150935 -0.215720 -0.024189 0.012834 -0.437671 0.038226 -0.010251 0.004399 -0.133467 0.062351 0.280981 -0.024293 0.014016 -0.004545 0.045036 0.057866 -0.427109 -0.006849 0.003928 0.054172 -0.032563 0.030316 -0.407731 -0.014090 -0.021070 -0.011830 0.136942 0.170459 0.407526 -0.015539 -0.040497 0.057706 -0.001693 -0.033513 0.002418 0.004938 -0.002876 -0.002602 -0.033541 -0.006378 -0.009418 0.072465 -0.019483 0.074525 -0.015307 0.097437 -0.080132 0.022968 0.013962 0.022609 -0.093419 0.070274 -0.725416 0.007581 -0.012696 -0.003834 0.097555 0.023357 -0.639247 0.004193 -0.005769 0.099047 -0.089799 -0.110433 -0.041015 0.082565 0.038399 0.036286 -0.005135 -0.011335 0.015163 -0.007935 0.033887 0.034491 -0.004818 0.015065 0.006775 -0.007511 0.034411 -0.003600 -0.059263 0.008220 0.088960 -0.163468 -0.159570 -0.102411 -0.034129 -0.007199 0.115222 -0.006328 0.005044 -0.002994 0.021778 0.001171 0.069264 0.063603 -0.151143 -0.137423 0.138053 -0.285134 -0.341691 -0.006076 0.030756 -0.015113 -0.043467 -0.104025 0.972442 0.009256 0.002322 -0.082022 -0.006425 -0.024898 0.050288 -0.050057 0.002264 -0.010687 -0.068836 -0.042964 -0.343502 -0.151483 0.025085 0.007408 0.016374 -0.029897 0.020589 -0.004196 0.026259 0.014606 -0.161478 0.191587 0.098123 -0.012995 0.016799 -0.016308 0.079204 0.325778 0.766724 0.035606 -0.005499 0.054511 0.013659 -0.142899 0.115761 0.029034 -0.002073 0.063885 0.091081 0.019530 -0.070314 0.151793 0.335488 0.073400 0.000269 -0.052951 0.010465 -0.037703 -0.067205 0.023200 0.443421 0.335799 -0.190016 0.002090 -0.018554 0.003137 0.499235 0.078637 0.459522 0.006607 -0.003040 -0.013217 -0.403860 -0.070187 -0.519398 -0.001581 0.013629 0.015489 0.051120 -0.003310 0.024970 0.012879 -0.008406 -0.043251 0.022267 0.026333 0.022796 -0.012341 -0.015301 0.006731 -0.407647 -0.209016 -0.032503 0.001150 -0.023090 -0.025692 -0.488225 -0.261844 0.193470 0.025081 -0.010132 -0.018433 0.391704 0.176746 -0.130903 -0.012433 -0.009850 0.020867 -0.003916 -0.012351 -0.007886 -0.013459 -0.268754 -0.304497 -0.010196 0.053264 0.015056 -0.052787 0.073196 -0.003584 -0.006460 0.005816 0.568453 0.195527 -0.061145 0.162769 -0.123413 -0.049639 0.271078 0.010493 -0.058547 0.006222 -0.018270 -0.168069 -0.105440 -0.046367 0.001834 -0.001751 -0.164190 -0.013550 -0.080900 0.125189 0.002714 0.031066 0.036149 0.170966 -0.200796 -0.019494 0.014069 -0.408174 0.048445 -0.014699 0.054462 -0.135237 0.059648 0.285169 -0.022620 0.039349 0.004198 0.048148 0.058184 -0.392145 -0.094293 0.007090 -0.020272 -0.021053 0.014179 -0.395666 -0.003042 -0.045942 0.002549 0.138567 0.169881 0.408145 -0.021678 -0.013198 0.046232 0.001898 -0.008660 0.011593 0.017556 0.003649 0.053322 -0.021014 -0.001243 -0.006560 0.083124 0.002305 0.067911 -0.002753 0.110838 -0.071026 0.019157 0.017350 0.045820 -0.096475 0.069668 -0.716132 0.010420 -0.011074 0.016668 0.098914 0.022480 -0.625062 0.005863 -0.013035 0.105362 -0.093628 -0.111792 -0.052981 0.102347 -0.009651 0.056119 0.018773 -0.134382 -0.038992 -0.012158 0.010669 0.030669 0.008855 0.128609 -0.045835 -0.028964 0.031908 0.004931 -0.164473 -0.007352 0.041037 -0.166393 -0.159168 -0.104670 -0.007013 0.011506 0.099188 0.001698 0.003563 -0.048778 0.106336 -0.000285 0.069866 0.063997 -0.151030 -0.137307 0.143932 -0.250297 -0.342584 0.019148 0.000938 0.028703 -0.008432 -0.106963 0.976707 0.062152 0.006498 -0.002018 -0.003590 -0.023975 0.045171 -0.052963 0.004641 0.105820 -0.079718 -0.037013 -0.362993 -0.149022 0.030213 0.007750 0.043346 0.027546 -0.000491 0.045912 0.043510 0.011368 -0.158390 0.190613 0.107174 -0.025329 0.034481 -0.010114 0.049761 0.313049 0.738506 0.085500 0.007480 0.031390 0.010078 -0.143177 0.115309 0.012043 -0.012690 0.040515 0.098571 0.023872 -0.090741 0.149547 0.339813 0.072937 -0.037959 0.000394 -0.010229 -0.078544 -0.022950 0.036378 0.443745 0.305482 -0.179239 0.012043 -0.008615 0.051641 0.496287 0.081711 0.469617 0.035393 0.004699 -0.003190 -0.404301 -0.069571 -0.535652 0.000911 0.016634 -0.007346 -0.005485 0.034755 -0.018018 0.014358 -0.012727 -0.045822 0.044996 -0.037422 0.000242 0.033125 -0.052909 0.015430 -0.404964 -0.206942 -0.021380 -0.003239 -0.045871 -0.015496 -0.484444 -0.259034 0.206348 -0.002903 0.001434 -0.001599 0.390934 0.176951 -0.130626 -0.005348 -0.011216 0.013209 -0.052911 -0.005125 0.008840 -0.014980 -0.272337 -0.314033 -0.040853 -0.001759 -0.000773 -0.050871 0.012064 0.018945 -0.098521 -0.104152 -0.801790 0.193396 -0.060139 0.162398 -0.122681 -0.053646 0.268436 0.009131 -0.058901 0.003143 -0.017073 -0.166071 -0.103910 -0.017435 0.001819 0.008465 -0.075775 -0.015546 -0.051361 0.062467 0.001305 0.022405 0.038375 0.167807 -0.196502 -0.012718 0.013914 -0.383555 0.022898 -0.009921 0.046469 -0.134902 0.064641 0.283939 -0.013966 0.006846 -0.001899 0.043996 0.058638 -0.399147 -0.060186 0.004630 -0.018850 -0.023873 0.009710 -0.392313 0.003584 -0.009470 -0.001681 0.137793 0.170245 0.408070 -0.013365 -0.011217 0.032517 0.001770 0.011048 0.014694 0.013951 0.003941 0.028490 0.000532 0.000384 -0.002733 0.060611 0.007283 0.053508 -0.005109 0.114636 -0.068451 0.011381 0.005398 0.046412 -0.096661 0.069325 -0.716769 0.007042 0.004307 0.022782 0.099139 0.022210 -0.623881 -0.002277 -0.010257 0.071844 -0.092731 -0.110956 -0.045830 0.074678 -0.018972 0.053972 0.016700 -0.090446 -0.031826 -0.010690 0.012616 0.021342 0.009355 0.092368 -0.033749 -0.024017 0.007379 0.008344 -0.127314 -0.004939 0.026686 -0.163774 -0.159122 -0.102926 -0.014206 0.011693 0.066806 0.010999 0.000801 -0.030163 0.062694 -0.000397 0.049403 0.063844 -0.150747 -0.136986 0.146253 -0.250568 -0.339051 0.012467 -0.004601 0.025747 -0.014265 -0.107193 0.985104 0.026943 0.001946 0.015501 -0.007470 -0.023580 0.044816 -0.037733 0.002514 0.083803 0.038041 0.075658 1.019493 -0.149708 0.033708 0.006650 0.024734 0.024879 -0.004540 0.049413 0.020396 0.022293 -0.159925 0.189795 0.104531 -0.020206 0.024689 -0.005440 0.052399 0.306839 0.742480 0.056000 0.009092 0.022831 0.013218 -0.143085 0.116946 0.007731 -0.007055 0.026985 0.040974 0.019434 -0.078458 0.149621 0.341007 0.071904 -0.028741 0.004543 -0.011119 -0.051406 -0.007116 0.039973 0.444110 0.305787 -0.177558 0.006777 -0.003714 0.041767 0.503068 0.082201 0.470037 0.027098 0.005334 0.007545 -0.407815 -0.070329 -0.521502 0.003541 0.009674 -0.018739 -0.000998 0.030615 -0.010216 0.014092 -0.016579 -0.047349 0.027302 -0.034821 -0.004557 0.042522 -0.029745 0.028790 -0.404664 -0.206858 -0.021552 -0.003337 -0.037873 -0.003241 -0.492991 -0.254646 0.207552 -0.004975 -0.001158 0.004884 0.391603 0.176581 -0.131920 -0.001135 -0.007802 0.005123 -0.035435 -0.001270 0.011363 -0.014851 -0.274716 -0.315439 -0.027097 -0.008282 -0.002221 -0.032218 -0.001747 0.030985 -0.061413 -0.057621 -0.217052 0.194723 -0.060996 0.162979 -0.123487 -0.050963 0.270475 0.009793 -0.058833 0.004811 -0.017910 -0.167161 -0.104492 -0.031726 0.001545 0.002264 -0.120135 -0.011604 -0.065671 0.093276 0.001441 0.024830 0.036899 0.169494 -0.198362 -0.016228 0.014136 -0.394545 0.035583 -0.012546 0.050511 -0.134994 0.060297 0.285234 -0.017476 0.021238 -0.000053 0.046266 0.058594 -0.395027 -0.075564 0.005106 -0.020178 -0.021512 0.012387 -0.393811 0.000991 -0.026014 -0.000276 0.138196 0.169380 0.407997 -0.016526 -0.012068 0.038406 0.001759 0.002273 0.013511 0.015838 0.004192 0.039187 -0.010163 -0.000490 -0.004370 0.070441 0.003623 0.059060 -0.003417 0.112529 -0.069714 0.015119 0.010925 0.044560 -0.096873 0.069433 -0.716224 0.008739 -0.003361 0.019476 0.099231 0.022419 -0.623989 0.002252 -0.011552 0.087132 -0.092950 -0.111739 -0.048381 0.088360 -0.013710 0.054061 0.018595 -0.111501 -0.035324 -0.011112 0.012398 0.025915 0.009084 0.109353 -0.039212 -0.025695 0.019004 0.005893 -0.145069 -0.005574 0.033733 -0.165536 -0.159107 -0.103362 -0.010584 0.010440 0.084049 0.007061 0.001673 -0.038686 0.084085 -0.000069 0.060590 0.064145 -0.150514 -0.137258 0.144822 -0.255628 -0.339795 0.013110 -0.002820 0.025566 -0.013159 -0.106803 0.981489 0.040064 0.002942 0.006640 -0.003037 -0.023578 0.044768 -0.041417 0.002948 0.091146 -0.010512 0.030031 0.442203 -0.149299 0.029463 0.007367 0.030738 0.026224 -0.001938 0.047164 0.029438 0.017647 -0.159375 0.190699 0.105555 -0.020269 0.028224 -0.006644 0.052340 0.308400 0.739529 0.068794 0.008732 0.021767 0.009157 -0.143089 0.115815 0.008146 -0.009033 0.030570 0.064654 0.020213 -0.080613 0.149665 0.340195 0.072330 -0.031547 0.004179 -0.009646 -0.062326 -0.012973 0.035409 0.443118 0.311078 -0.177516 0.009657 -0.005561 0.043800 0.500930 0.081758 0.469544 0.030477 0.004870 0.003324 -0.405169 -0.069508 -0.533308 0.002511 0.011798 -0.009801 -0.004535 0.031530 -0.014509 0.014206 -0.011940 -0.046716 0.033061 -0.034839 -0.001989 0.037588 -0.038457 0.023151 -0.404070 -0.207418 -0.021772 -0.005029 -0.040590 -0.007515 -0.489999 -0.255477 0.206559 -0.005088 -0.000707 0.003334 0.391231 0.176746 -0.131672 -0.003237 -0.009489 0.008792 -0.041586 -0.002711 0.008686 -0.014883 -0.272901 -0.314019 -0.030747 -0.006522 -0.003383 -0.038214 0.004117 0.027160 -0.056638 -0.049437 -0.133749 0.191096 -0.060185 0.163012 -0.122831 -0.055372 0.267063 0.007969 -0.059019 0.002648 -0.013902 -0.160875 -0.105519 0.003238 -0.000857 0.010904 0.025333 -0.009597 -0.006356 0.004653 -0.002249 0.017447 0.042356 0.161548 -0.195337 -0.007445 0.013921 -0.367270 0.001688 -0.005146 0.030887 -0.135245 0.065526 0.283111 -0.008789 -0.020779 -0.005302 0.039555 0.058840 -0.409952 -0.015819 0.001290 -0.007034 -0.027506 0.009303 -0.391393 0.005541 0.020165 -0.005237 0.137987 0.169389 0.408092 -0.005809 -0.012552 0.024082 0.001286 0.020698 0.013635 0.008578 0.003431 -0.000787 0.014577 0.001085 0.000011 0.042385 0.021899 0.054828 -0.008997 0.115188 -0.067372 0.003649 -0.006297 0.039833 -0.096778 0.069304 -0.718798 0.003544 0.015940 0.024308 0.099301 0.022219 -0.623136 -0.009957 -0.006471 0.046369 -0.090891 -0.110869 -0.036379 0.048680 -0.020466 0.052187 0.011594 -0.031382 -0.015496 -0.006720 0.016960 0.016510 0.006728 0.041095 -0.018050 -0.014207 -0.010448 0.010683 -0.035457 -0.004996 0.032929 -0.161765 -0.159148 -0.100492 -0.027435 0.007467 0.051839 0.014946 0.000124 -0.008845 0.009667 0.000718 0.032037 0.064119 -0.149914 -0.136515 0.146194 -0.261438 -0.334962 0.004464 -0.002913 0.019478 -0.025328 -0.106966 0.993355 -0.005870 -0.003054 0.025741 -0.006143 -0.023406 0.045945 -0.021410 0.001078 0.043940 -0.020245 0.012641 0.332885 -0.150951 0.030889 0.006308 0.004389 0.013247 -0.004225 0.047073 0.002550 0.026639 -0.161666 0.188835 0.101259 -0.014534 0.010744 -0.002020 0.059045 0.304762 0.748538 0.014817 0.007215 0.025608 0.011466 -0.143040 0.118084 0.007197 -0.001200 0.016898 -0.017882 0.009701 -0.061313 0.150534 0.340768 0.071786 -0.013772 0.003598 -0.007039 -0.021456 -0.003471 0.035233 0.444153 0.317074 -0.176295 -0.002132 -0.002937 0.029314 0.506785 0.081888 0.468957 0.016264 0.004267 0.016812 -0.407480 -0.069938 -0.514730 0.005082 0.003337 -0.020419 0.011151 0.015894 -0.000972 0.012940 -0.013726 -0.047627 0.006044 -0.021212 -0.007029 0.041267 -0.005454 0.032218 -0.404830 -0.206432 -0.022773 -0.000907 -0.022912 0.005384 -0.498083 -0.252846 0.207007 0.000101 -0.002912 0.008456 0.391052 0.176522 -0.133287 0.001557 -0.001748 -0.002652 -0.017074 0.001197 0.007826 -0.013992 -0.274708 -0.315416 -0.008252 -0.007031 0.000550 -0.011846 0.001089 0.033139 -0.051242 -0.039679 -0.031537 0.189582 -0.060024 0.163629 -0.122991 -0.056321 0.266100 0.006189 -0.059075 0.000951 -0.008540 -0.154082 -0.106285 0.044585 -0.004056 0.021953 0.182391 -0.001815 0.068212 -0.104170 -0.009832 0.003988 0.048840 0.153488 -0.191138 0.003187 0.014301 -0.334433 -0.035303 0.004131 0.012735 -0.135795 0.065269 0.282162 -0.000237 -0.070771 -0.012486 0.031871 0.059394 -0.426188 0.054877 -0.005629 0.010215 -0.032394 0.006486 -0.388177 0.013262 0.077139 -0.012520 0.139121 0.168336 0.408484 0.008604 -0.011772 0.006701 0.001200 0.044578 0.013247 0.002076 0.002955 -0.049645 0.043183 0.002828 0.005049 0.008285 0.042050 0.047080 -0.014499 0.118520 -0.063990 -0.010032 -0.026568 0.032063 -0.096689 0.069434 -0.721752 -0.001890 0.037114 0.029075 0.099618 0.022281 -0.619904 -0.022995 -0.000746 -0.004173 -0.087529 -0.111027 -0.019899 0.004369 -0.027516 0.048197 0.004552 0.060371 0.002943 -0.000516 0.021861 0.004443 0.004281 -0.042570 0.007108 0.000934 -0.048522 0.015622 0.099183 -0.003351 0.030938 -0.159800 -0.158976 -0.097425 -0.045829 0.002978 0.018451 0.025621 -0.002031 0.026543 -0.077838 0.003330 0.002590 0.064813 -0.148771 -0.135405 0.146569 -0.274838 -0.327838 -0.009668 -0.002757 0.008217 -0.039272 -0.106319 1.008911 -0.060641 -0.009989 0.046431 -0.003635 -0.022912 0.046420 0.007812 -0.005575 -0.019150 -0.031222 -0.002115 0.191769 -0.152351 0.027768 0.006124 -0.031837 -0.000732 -0.006944 0.047288 -0.029368 0.038895 -0.164312 0.188036 0.097106 -0.003754 -0.009412 0.005453 0.065279 0.301021 0.756478 -0.065563 0.008024 0.029819 0.009104 -0.142919 0.119188 0.004944 0.007626 0.002300 -0.121574 -0.005197 -0.026882 0.152242 0.341489 0.071335 0.007189 0.006712 -0.001220 0.028482 0.010166 0.028983 0.445560 0.332309 -0.172193 -0.016975 -0.001571 0.008385 0.509751 0.081592 0.470169 -0.002092 0.003524 0.032592 -0.406123 -0.068825 -0.509879 0.008384 -0.007092 -0.024617 0.029093 -0.001878 0.014486 0.011764 -0.010045 -0.047666 -0.027407 -0.006049 -0.010871 0.045632 0.033744 0.045546 -0.405552 -0.206296 -0.023198 0.004769 -0.003863 0.021744 -0.501974 -0.250361 0.207899 0.004093 -0.005178 0.016987 0.391039 0.176958 -0.135103 0.006324 0.008986 -0.015750 0.014460 0.004056 0.003252 -0.012600 -0.274912 -0.316771 0.020956 -0.009898 0.006076 0.023483 -0.007618 0.040001 -0.052412 -0.041465 -0.048269 0.190832 -0.060170 0.163337 -0.122946 -0.055314 0.267138 0.006539 -0.058988 0.001855 -0.008979 -0.156122 -0.105645 0.036647 -0.003651 0.020936 0.151501 -0.003273 0.054423 -0.082969 -0.009287 0.006525 0.047953 0.156027 -0.191349 0.001089 0.014476 -0.339878 -0.027147 0.000326 0.019001 -0.135502 0.064669 0.282543 -0.000730 -0.062151 -0.011885 0.033472 0.059408 -0.422280 0.044236 -0.004257 0.008103 -0.031851 0.006164 -0.388231 0.012535 0.067271 -0.011714 0.139051 0.169122 0.409334 0.006514 -0.012124 0.010094 0.001085 0.041731 0.013659 0.003445 0.003079 -0.040308 0.037110 0.002518 0.004468 0.015686 0.039142 0.047484 -0.013392 0.118431 -0.064157 -0.007022 -0.022431 0.034119 -0.096556 0.069564 -0.720767 -0.000482 0.032570 0.028527 0.099540 0.022383 -0.619869 -0.020034 -0.002322 0.005392 -0.088078 -0.111219 -0.022559 0.013183 -0.025831 0.048055 0.007352 0.043497 -0.000246 -0.001348 0.020937 0.007517 0.004104 -0.026415 0.003243 -0.002325 -0.042189 0.014296 0.076284 -0.003871 0.031240 -0.160941 -0.158947 -0.098104 -0.042926 0.003806 0.026352 0.023838 -0.001592 0.020893 -0.061120 0.002501 0.010136 0.064852 -0.149391 -0.134749 0.146468 -0.273033 -0.328478 -0.007690 -0.001953 0.008796 -0.037759 -0.106268 1.006377 -0.052725 -0.008748 0.042400 -0.001331 -0.022891 0.046522 0.006313 -0.005874 -0.014409 -0.029855 0.002887 0.200322 -0.152062 0.026478 0.006766 -0.028011 0.000737 -0.006663 0.044906 -0.023914 0.038880 -0.164121 0.189731 0.097207 -0.005415 -0.005757 0.005327 0.064875 0.300561 0.754343 -0.055469 0.007406 0.023865 0.007086 -0.142976 0.117113 0.002648 0.006572 0.002033 -0.108537 -0.004219 -0.024432 0.152255 0.342172 0.071638 0.005686 0.006989 -0.001849 0.022899 0.008540 0.029556 0.444679 0.330649 -0.171841 -0.015348 -0.002173 0.009592 0.505422 0.081479 0.469905 -0.001482 0.002819 0.031265 -0.405966 -0.068912 -0.513912 0.007860 -0.006023 -0.021484 0.028261 -0.002612 0.013907 0.011960 -0.008662 -0.046940 -0.024294 -0.006296 -0.011732 0.044542 0.027872 0.043421 -0.404595 -0.207782 -0.023768 0.004083 -0.006401 0.020904 -0.496693 -0.249537 0.207850 0.003201 -0.003867 0.014623 0.391442 0.176962 -0.134040 0.005717 0.007377 -0.014398 0.007609 0.003863 0.004240 -0.012575 -0.275355 -0.315057 0.018841 -0.010578 0.004236 0.017088 -0.005876 0.039255 -0.023210 -0.004857 0.398928 0.190581 -0.059517 0.162636 -0.122138 -0.056608 0.265550 0.006307 -0.058899 0.007073 -0.008272 -0.154317 -0.106998 0.025217 -0.002094 0.012984 0.072833 0.002307 0.046572 -0.052796 -0.003050 0.009638 0.048893 0.153509 -0.192427 0.003276 0.014472 -0.341370 -0.018325 0.006396 0.008854 -0.135349 0.067686 0.281384 0.000540 -0.042969 -0.003266 0.031066 0.059352 -0.421399 0.034878 -0.003373 0.003119 -0.033506 0.005396 -0.386782 0.010141 0.045729 -0.005286 0.138451 0.170010 0.408885 0.007319 -0.000577 0.010172 0.002951 0.021031 0.010544 0.003276 0.003300 -0.026507 0.028833 0.003186 0.004553 0.006775 0.023028 0.042359 -0.014268 0.118570 -0.061814 -0.003045 -0.013472 0.026707 -0.096322 0.069495 -0.721731 0.003236 0.016116 0.026698 0.099201 0.022245 -0.620775 -0.012180 -0.001491 0.010102 -0.088072 -0.110405 -0.024875 0.005325 -0.012845 0.043811 -0.000897 0.038488 0.005028 0.000180 0.008685 0.011002 -0.001822 -0.026756 0.008824 0.002903 -0.028842 0.012044 0.058082 -0.002968 0.024938 -0.160643 -0.159050 -0.098241 -0.030066 0.002178 0.031860 0.016577 -0.001658 0.009103 -0.048393 0.003397 0.010070 0.064194 -0.150034 -0.134765 0.146881 -0.268851 -0.331173 0.000836 -0.005191 0.010196 -0.034174 -0.106623 1.009232 -0.026929 -0.008283 0.037511 -0.008298 -0.023143 0.045411 0.006672 -0.002851 -0.008287 -0.055620 -0.037876 -0.241088 -0.151949 0.032360 0.005730 -0.021804 -0.003391 -0.000323 0.034405 -0.019181 0.033336 -0.165392 0.188269 0.098708 -0.005786 -0.003001 0.000658 0.061016 0.300549 0.758681 -0.021884 0.007995 0.031592 0.013572 -0.142959 0.117231 -0.003997 0.004648 0.008563 -0.078494 -0.001968 -0.035243 0.151758 0.342010 0.070654 0.005277 0.006528 0.000855 0.024416 0.004112 0.027451 0.446104 0.325707 -0.175110 -0.006015 -0.001362 0.011760 0.504590 0.081364 0.471268 0.001286 0.004493 0.030683 -0.408583 -0.070016 -0.508921 0.006107 -0.002824 -0.017660 0.021040 -0.000614 0.009583 0.012334 -0.014882 -0.047900 -0.017585 -0.002182 -0.003410 0.032319 0.026055 0.039378 -0.406269 -0.205414 -0.021335 0.001860 -0.006387 0.012984 -0.496099 -0.250131 0.208390 0.005078 0.000355 0.016013 0.391901 0.176681 -0.133630 0.003904 0.006375 -0.011143 0.003661 0.001633 0.003746 -0.013081 -0.276129 -0.317861 0.015917 -0.009711 0.010341 0.019291 -0.006954 0.035927 -0.019082 0.000326 0.462245 0.190113 -0.059555 0.163077 -0.122274 -0.056910 0.265326 0.006252 -0.058914 0.007570 -0.008403 -0.153759 -0.107131 0.023150 -0.001945 0.011241 0.060721 0.003116 0.046184 -0.048513 -0.002395 0.009559 0.048849 0.152796 -0.192524 0.003583 0.014509 -0.341293 -0.016483 0.006857 0.006208 -0.135378 0.067444 0.281420 0.000927 -0.041157 -0.002498 0.030968 0.059457 -0.421015 0.033405 -0.003341 0.002302 -0.033218 0.005926 -0.386727 0.009749 0.042899 -0.004484 0.138468 0.169428 0.408414 0.007213 0.001155 0.010224 0.003156 0.017878 0.010235 0.003211 0.003570 -0.024414 0.027609 0.003283 0.004533 0.005479 0.021158 0.040043 -0.014231 0.118299 -0.061731 -0.002598 -0.012170 0.024789 -0.096410 0.069393 -0.721902 0.004151 0.013745 0.025920 0.099295 0.022223 -0.620733 -0.011307 -0.001331 0.009011 -0.087895 -0.110331 -0.025038 0.004460 -0.010877 0.041814 -0.001699 0.037655 0.005767 -0.000048 0.006746 0.011322 -0.001814 -0.026780 0.009795 0.003297 -0.026386 0.011579 0.055597 -0.003032 0.024190 -0.160149 -0.159029 -0.097834 -0.028442 0.001909 0.032547 0.015673 -0.001658 0.007419 -0.046470 0.003590 0.010402 0.064309 -0.149569 -0.135137 0.146912 -0.269137 -0.330504 0.001652 -0.006401 0.009667 -0.033838 -0.106582 1.010940 -0.022776 -0.007830 0.036145 -0.007664 -0.023002 0.045439 0.007597 -0.002535 -0.008007 -0.061014 -0.042003 -0.304245 -0.152031 0.032020 0.005867 -0.020925 -0.004405 0.001224 0.031466 -0.018388 0.031872 -0.165501 0.187516 0.099827 -0.004842 -0.003559 0.000220 0.060628 0.299404 0.760013 -0.016979 0.008461 0.030372 0.012965 -0.143007 0.118641 -0.005377 0.004502 0.007822 -0.073220 -0.002035 -0.035659 0.151827 0.342144 0.070931 0.005710 0.006415 0.002171 0.024573 0.003768 0.026308 0.445558 0.325858 -0.174843 -0.003460 -0.001201 0.011644 0.506189 0.081395 0.471967 0.001079 0.004386 0.029899 -0.408286 -0.069803 -0.507529 0.005788 -0.002704 -0.016186 0.020912 -0.001044 0.009404 0.012380 -0.014496 -0.047870 -0.016694 -0.000617 -0.001638 0.029532 0.025193 0.039264 -0.405647 -0.204533 -0.020091 0.000864 -0.004684 0.011919 -0.497905 -0.248947 0.209345 0.005413 -0.000334 0.016449 0.391548 0.176710 -0.133846 0.003766 0.006136 -0.009788 0.002960 0.001352 0.003838 -0.013096 -0.276208 -0.317152 0.015652 -0.009212 0.009695 0.019063 -0.006814 0.035796 -0.022278 -0.003103 0.411460 0.189449 -0.059959 0.164182 -0.122873 -0.057095 0.265618 0.006114 -0.059092 0.009449 -0.009089 -0.152595 -0.108102 0.017419 -0.001769 0.007997 0.026172 0.004021 0.045837 -0.027916 0.000156 0.011002 0.048132 0.151200 -0.193438 0.004293 0.014680 -0.343133 -0.010941 0.007273 0.003327 -0.135635 0.066064 0.282044 0.001334 -0.030342 0.001185 0.030268 0.059559 -0.418358 0.026788 -0.002913 -0.000081 -0.032515 0.006676 -0.386015 0.009236 0.034111 -0.001446 0.138597 0.168304 0.407970 0.006598 0.005442 0.010111 0.003740 0.008235 0.008616 0.004445 0.003702 -0.015720 0.023041 0.003614 0.004642 0.002570 0.011604 0.037065 -0.013618 0.117713 -0.061229 0.000146 -0.007900 0.022876 -0.096978 0.069301 -0.722002 0.006259 0.006205 0.025727 0.099622 0.022200 -0.619831 -0.008095 -0.001427 0.014075 -0.087425 -0.110380 -0.025960 0.002188 -0.004378 0.040464 -0.004874 0.031400 0.006627 0.001898 0.001159 0.012563 -0.004737 -0.023132 0.010888 0.004431 -0.018527 0.010257 0.040203 -0.002778 0.019851 -0.159736 -0.159045 -0.096708 -0.020827 0.000793 0.035794 0.012130 -0.001361 0.000790 -0.036866 0.003496 0.011995 0.064458 -0.148546 -0.135597 0.146910 -0.272690 -0.331484 0.003794 -0.007174 0.009739 -0.033408 -0.106683 1.010159 -0.012172 -0.007196 0.035546 -0.005336 -0.022640 0.044937 0.007314 -0.002126 -0.009660 -0.055684 -0.036239 -0.258280 -0.152344 0.029297 0.005636 -0.020216 -0.004993 0.002688 0.025660 -0.016830 0.030314 -0.165984 0.186297 0.100110 -0.004985 -0.002593 -0.001184 0.060063 0.298270 0.759380 -0.005275 0.008199 0.032472 0.010394 -0.143071 0.119857 -0.008461 0.003574 0.007312 -0.058815 -0.002273 -0.037018 0.152076 0.342257 0.070551 0.006166 0.005799 0.002195 0.025849 0.004480 0.027311 0.445808 0.329258 -0.175881 -0.000730 -0.001993 0.012515 0.509558 0.081430 0.472011 0.001071 0.005091 0.030290 -0.407792 -0.069336 -0.508908 0.005982 -0.001816 -0.014069 0.018316 0.000822 0.008901 0.012097 -0.011590 -0.048099 -0.015267 0.001312 -0.000202 0.024760 0.023969 0.039434 -0.406076 -0.202816 -0.020192 0.000127 -0.004934 0.010017 -0.501825 -0.247941 0.208416 0.006920 0.001742 0.016817 0.391426 0.176663 -0.135240 0.003476 0.005247 -0.008603 -0.000191 0.000853 0.005014 -0.013049 -0.276043 -0.317403 0.015547 -0.008388 0.011056 0.019168 -0.007761 0.038755 -0.030846 -0.013058 0.258897 0.190504 -0.060282 0.164995 -0.122990 -0.056312 0.266949 0.006010 -0.059297 0.016788 -0.008196 -0.151645 -0.108866 0.000671 -0.001418 -0.000179 -0.097794 0.012909 0.033649 0.023757 0.004120 0.015252 0.048594 0.149716 -0.194114 0.006735 0.015431 -0.346307 0.005900 0.008826 -0.003589 -0.135199 0.064116 0.282486 0.004953 0.001615 0.011362 0.028591 0.059829 -0.411149 0.010538 -0.001905 -0.005890 -0.032693 0.005932 -0.383156 0.006280 -0.000547 0.005740 0.138516 0.168033 0.408280 0.007233 0.018199 0.010467 0.006782 -0.015950 0.005271 0.005488 0.004491 0.009399 0.009567 0.004293 0.005766 -0.004448 -0.014402 0.023427 -0.013160 0.118434 -0.058066 0.007011 0.006366 0.014629 -0.096930 0.069214 -0.722289 0.012323 -0.017113 0.023119 0.099651 0.022150 -0.617790 0.003172 -0.002616 0.024284 -0.086462 -0.110508 -0.028302 -0.003966 0.014009 0.031039 -0.012611 0.014979 0.011077 0.003230 -0.013062 0.019507 -0.010892 -0.013979 0.016040 0.008516 0.000516 0.006839 -0.010411 -0.001504 0.008373 -0.160701 -0.159082 -0.095953 0.002195 0.000079 0.040774 0.001982 -0.001824 -0.017402 -0.011300 0.005124 0.015973 0.064600 -0.148690 -0.134607 0.146295 -0.275883 -0.332619 0.014752 -0.010565 0.009508 -0.030102 -0.107028 1.014198 0.018923 -0.007355 0.025136 -0.004413 -0.022992 0.044845 0.012654 -0.000938 -0.007700 -0.032145 -0.021460 -0.105730 -0.151867 0.028736 0.005784 -0.012437 -0.010265 0.011317 0.001279 -0.007764 0.024974 -0.167103 0.185298 0.102107 -0.002954 0.005829 -0.004673 0.055968 0.294268 0.762447 0.036221 0.008327 0.024972 0.009829 -0.143299 0.118141 -0.018887 0.000867 0.008131 -0.011109 -0.002670 -0.037956 0.152089 0.342116 0.070570 0.007967 0.003775 0.005866 0.027688 0.005208 0.024944 0.444861 0.332681 -0.177258 0.012429 0.002700 0.010999 0.506259 0.081001 0.473722 0.000192 0.004154 0.026176 -0.406756 -0.068656 -0.516120 0.005271 0.001190 0.002936 0.006023 -0.000382 0.006683 0.012375 -0.010886 -0.047750 -0.006685 0.011287 0.008919 0.003704 0.017899 0.031504 -0.404974 -0.200669 -0.017454 -0.003529 -0.006494 0.002223 -0.497541 -0.244494 0.208272 0.010651 0.006620 0.017777 0.391476 0.176783 -0.135122 0.000923 0.003124 -0.003346 -0.005632 -0.001537 0.007414 -0.012946 -0.275585 -0.316619 0.012056 -0.006020 0.012715 0.014997 -0.012110 0.037342 -0.045973 -0.030688 -0.032908 0.190387 -0.059979 0.166617 -0.122322 -0.058070 0.266991 0.005830 -0.059451 0.031251 -0.006885 -0.149167 -0.109909 -0.035620 -0.001439 -0.019032 -0.317395 0.021421 0.011988 0.120516 0.016276 0.022979 0.049724 0.146233 -0.195196 0.011039 0.016610 -0.352021 0.041219 0.012677 -0.020974 -0.134950 0.066240 0.282393 0.011712 0.064776 0.031981 0.024546 0.060139 -0.397898 -0.027312 0.000362 -0.016144 -0.035129 0.003862 -0.377735 0.001303 -0.065098 0.022090 0.138519 0.168502 0.409349 0.006165 0.040296 0.013464 0.011045 -0.068103 -0.001852 0.007382 0.005840 0.058430 -0.017439 0.005705 0.007747 -0.017764 -0.067892 -0.001165 -0.013027 0.119412 -0.050880 0.020923 0.033402 0.001321 -0.096550 0.069151 -0.721878 0.023179 -0.062164 0.018779 0.099593 0.022080 -0.615711 0.024333 -0.002782 0.043259 -0.085287 -0.109605 -0.035902 -0.016136 0.048076 0.015538 -0.027738 -0.018977 0.023627 0.006113 -0.044378 0.032290 -0.022837 0.006063 0.028533 0.017776 0.039925 0.002495 -0.107296 0.001654 -0.017009 -0.159847 -0.159177 -0.093924 0.047059 -0.003180 0.051649 -0.019577 -0.001399 -0.053615 0.042814 0.006382 0.024729 0.064359 -0.148972 -0.133025 0.147745 -0.271290 -0.336198 0.035580 -0.013077 0.008806 -0.021760 -0.107401 1.022959 0.100437 -0.003555 0.003598 -0.006597 -0.022834 0.044462 0.020821 0.002044 -0.010248 0.021595 0.003600 0.187898 -0.151869 0.030923 0.005649 0.004662 -0.020287 0.028828 -0.046968 0.008385 0.012209 -0.170457 0.181064 0.106751 0.000555 0.016218 -0.012099 0.047333 0.288859 0.770019 0.104816 0.013999 0.012462 0.012265 -0.143514 0.117514 -0.041626 -0.002902 0.011014 0.089548 -0.007207 -0.045988 0.152538 0.342530 0.069864 0.010995 0.002898 0.014157 0.018427 0.006062 0.024531 0.447523 0.327768 -0.181425 0.037844 0.004056 0.004705 0.501808 0.079998 0.476711 -0.002892 0.003926 0.014454 -0.408256 -0.069331 -0.511625 0.004099 0.005168 0.027504 -0.017736 0.003729 0.002858 0.012800 -0.013044 -0.047890 0.010779 0.031566 0.028161 -0.046683 0.002525 0.015028 -0.407072 -0.193994 -0.010739 -0.009599 -0.001830 -0.014016 -0.491771 -0.240314 0.209460 0.016996 0.016063 0.014738 0.391957 0.176623 -0.135081 -0.004099 -0.001308 0.008332 -0.018700 -0.006013 0.012295 -0.012773 -0.276440 -0.318176 0.004464 -0.000201 0.018610 0.006822 -0.018024 0.029188 -0.039437 -0.022636 0.110689 0.190568 -0.059853 0.165711 -0.122323 -0.057342 0.266758 0.005906 -0.059066 0.024309 -0.007239 -0.150699 -0.108693 -0.017435 -0.002001 -0.008462 -0.205048 0.018584 0.020753 0.071541 0.009093 0.019392 0.049606 0.148473 -0.193998 0.008689 0.015890 -0.347548 0.023676 0.009799 -0.008041 -0.135576 0.066193 0.282804 0.006880 0.033310 0.022616 0.026026 0.059848 -0.404326 -0.009056 -0.000870 -0.010304 -0.034254 0.004550 -0.380060 0.004144 -0.034080 0.014023 0.139072 0.168789 0.409580 0.006297 0.028921 0.011915 0.009402 -0.042569 0.001741 0.006443 0.004627 0.033980 -0.003523 0.005072 0.006910 -0.010409 -0.040785 0.009442 -0.013376 0.119086 -0.053289 0.014191 0.020104 0.008697 -0.096528 0.069318 -0.721688 0.017696 -0.038820 0.021095 0.099555 0.022156 -0.617048 0.012502 -0.003065 0.031699 -0.086213 -0.109820 -0.032152 -0.008955 0.030502 0.021577 -0.019825 -0.001621 0.018394 0.004358 -0.028198 0.027746 -0.016556 -0.004112 0.023889 0.012152 0.020104 0.005947 -0.060729 -0.000729 -0.002634 -0.160273 -0.159133 -0.095026 0.022370 -0.001850 0.046037 -0.008436 -0.002037 -0.035684 0.014655 0.005881 0.021455 0.064332 -0.149165 -0.133483 0.147260 -0.272137 -0.334184 0.026746 -0.010817 0.007490 -0.025745 -0.107262 1.018823 0.065505 -0.004261 0.008700 -0.005283 -0.022923 0.044704 0.018226 0.001114 -0.006899 -0.003305 -0.009507 0.038274 -0.151793 0.030364 0.005631 -0.001426 -0.016288 0.021295 -0.027638 0.002237 0.017255 -0.168825 0.183786 0.104517 -0.000805 0.009422 -0.008096 0.051820 0.294590 0.766988 0.071569 0.007959 0.011691 0.010840 -0.143302 0.117270 -0.030611 -0.001070 0.008892 0.044179 -0.006410 -0.038213 0.152274 0.343136 0.070334 0.009610 0.004398 0.011189 0.022334 0.005726 0.022839 0.448903 0.328826 -0.179216 0.023164 0.001613 0.006606 0.503309 0.080574 0.475458 -0.001457 0.003600 0.018129 -0.407933 -0.069252 -0.512184 0.003063 0.003083 0.018179 -0.009782 0.001738 0.005014 0.012654 -0.012435 -0.047710 0.004178 0.023810 0.019771 -0.025826 0.007679 0.020404 -0.408570 -0.197785 -0.013118 -0.003613 -0.000770 -0.006586 -0.493699 -0.245325 0.210102 0.013123 0.013831 0.014138 0.391771 0.176704 -0.134492 -0.001348 0.001184 0.003363 -0.012774 -0.003562 0.010562 -0.012791 -0.276941 -0.319693 0.007236 -0.002964 0.020724 0.010590 -0.014214 0.027328 -0.043371 -0.026993 0.034892 0.189413 -0.059606 0.165980 -0.122717 -0.058433 0.265670 0.005766 -0.059303 0.022886 -0.008466 -0.149506 -0.108563 -0.017659 -0.000780 -0.010027 -0.161583 0.013579 0.015992 0.065872 0.007984 0.017606 0.048334 0.147444 -0.193657 0.008822 0.016030 -0.348439 0.021231 0.010238 -0.012760 -0.135767 0.066945 0.281782 0.006467 0.031045 0.021170 0.025437 0.059992 -0.403668 -0.013754 -0.000570 -0.005834 -0.034257 0.004658 -0.380538 0.002632 -0.032073 0.013089 0.138797 0.168306 0.408257 0.004537 0.023266 0.009979 0.007525 -0.040356 0.000522 0.004574 0.004574 0.033399 -0.003325 0.004726 0.007677 -0.011974 -0.039145 0.010645 -0.012650 0.118980 -0.054154 0.013151 0.016992 0.005698 -0.097131 0.069227 -0.722331 0.016711 -0.031854 0.019754 0.099754 0.022128 -0.617795 0.007899 -0.002392 0.029101 -0.085936 -0.109417 -0.033176 -0.010798 0.029541 0.022837 -0.017596 -0.004761 0.017042 0.004041 -0.021724 0.025276 -0.015095 -0.001087 0.022018 0.010862 0.020613 0.003698 -0.054139 -0.001004 -0.001106 -0.159449 -0.158981 -0.094939 0.019999 -0.001365 0.038437 -0.007447 -0.002454 -0.032153 0.016309 0.004721 0.014634 0.064379 -0.148303 -0.134626 0.147680 -0.270712 -0.334799 0.025927 -0.011867 0.010582 -0.026006 -0.107282 1.017364 0.054227 -0.004635 0.018805 -0.005771 -0.022626 0.043945 0.014827 0.000812 -0.007048 -0.002456 -0.004748 0.121415 -0.151961 0.030395 0.005110 -0.002798 -0.015624 0.019542 -0.022700 -0.001424 0.022531 -0.168862 0.183725 0.104789 -0.000874 0.008789 -0.008233 0.051985 0.292081 0.768135 0.061015 0.009270 0.019476 0.010856 -0.143342 0.118302 -0.029990 -0.000688 0.013238 0.036509 -0.005122 -0.048274 0.152014 0.343134 0.069884 0.009032 0.004459 0.009834 0.025814 0.005786 0.028750 0.447580 0.327289 -0.179269 0.022098 0.003277 0.009669 0.505587 0.080958 0.475751 -0.000566 0.004589 0.022961 -0.408783 -0.069139 -0.509114 0.005232 0.003709 0.012439 -0.005643 0.001628 0.005683 0.012567 -0.012273 -0.048484 0.002191 0.021667 0.018088 -0.020538 0.011213 0.025453 -0.407279 -0.197493 -0.014398 -0.004177 -0.002690 -0.005682 -0.496880 -0.242462 0.209617 0.013646 0.010713 0.016995 0.391480 0.176700 -0.135264 -0.000426 0.000360 0.000557 -0.011412 -0.003515 0.010061 -0.013088 -0.276927 -0.319440 0.007750 -0.003069 0.020639 0.012795 -0.015796 0.036114 -0.054603 -0.040149 -0.175020 0.189724 -0.060021 0.167337 -0.123416 -0.058082 0.267166 0.005348 -0.060045 0.021745 -0.009482 -0.149151 -0.104417 -0.013360 0.001246 -0.004932 -0.035151 -0.000755 0.006369 0.051738 0.005380 0.015289 0.046765 0.147364 -0.188629 0.009983 0.016388 -0.342540 0.014664 0.007435 -0.013669 -0.135815 0.064626 0.283007 0.007028 0.023702 0.017671 0.024299 0.060009 -0.397918 -0.022924 0.000055 0.011466 -0.032943 0.003803 -0.378167 0.000899 -0.026138 0.010983 0.138897 0.167112 0.407970 0.002043 0.003979 0.009062 0.003688 -0.030782 0.000420 0.000347 0.003739 0.031783 -0.001823 0.004161 0.011896 -0.012830 -0.031948 0.009643 -0.011044 0.120866 -0.051628 0.010016 0.008216 0.005484 -0.097628 0.069178 -0.721523 0.013100 -0.009717 0.017400 0.099930 0.022024 -0.615717 -0.002521 -0.001507 0.018288 -0.084689 -0.109690 -0.031487 -0.010492 0.022445 0.022330 -0.010218 -0.011201 0.017401 0.001924 -0.004348 0.023838 -0.008763 0.004330 0.021233 0.005046 0.018682 0.002226 -0.036300 -0.000848 0.007054 -0.159707 -0.159002 -0.093870 0.008172 0.000536 0.019966 -0.002518 -0.001207 -0.020539 0.017075 0.002726 0.000171 0.064630 -0.147672 -0.134543 0.147423 -0.273442 -0.335015 0.010906 -0.004849 0.012477 -0.023748 -0.107330 1.014630 0.004290 -0.005881 0.019233 -0.003493 -0.022217 0.043471 0.003326 0.001642 -0.005351 0.010321 0.010744 0.321905 -0.151693 0.027979 0.005059 0.003930 -0.002942 0.016732 -0.025180 0.001469 0.019103 -0.168891 0.181804 0.108273 0.009767 0.012453 -0.002069 0.047293 0.287625 0.773321 0.022434 0.005304 0.017472 0.008748 -0.143225 0.119576 -0.008789 -0.002404 0.006190 0.048081 -0.004968 -0.034125 0.151899 0.342487 0.069832 0.005162 -0.001453 0.009349 0.016864 0.001891 0.025819 0.446677 0.330138 -0.178436 0.008274 0.008571 0.012165 0.508555 0.081062 0.477419 -0.003422 0.005484 0.014821 -0.407260 -0.068453 -0.514370 0.006881 0.002323 0.020871 -0.002426 0.002665 0.007138 0.012719 -0.009745 -0.048754 0.006550 0.010516 0.012532 -0.027254 0.005911 0.024028 -0.405979 -0.195643 -0.011336 0.002678 -0.005347 -0.000626 -0.499515 -0.238837 0.209832 0.012183 0.000916 0.015784 0.391090 0.176643 -0.136386 -0.001054 -0.003371 0.003618 -0.002928 -0.003376 0.006933 -0.013406 -0.275764 -0.319649 0.001563 0.003913 0.016467 0.008334 -0.008035 0.029469 -0.073131 -0.063067 -0.572997 0.190866 -0.059555 0.169500 -0.122944 -0.059206 0.268383 0.004917 -0.061236 0.019995 -0.010710 -0.148414 -0.095765 -0.004382 0.004977 0.003634 0.216492 -0.021003 -0.011258 0.016256 -0.000508 0.005724 0.044606 0.147269 -0.178533 0.012481 0.016429 -0.331695 0.002167 0.002980 -0.016871 -0.136277 0.065548 0.283882 0.006849 0.008137 0.012629 0.020912 0.059381 -0.388599 -0.042736 0.001316 0.045685 -0.032439 0.000241 -0.373722 -0.002870 -0.013247 0.007356 0.139800 0.167137 0.408482 -0.004245 -0.035581 0.005927 -0.004849 -0.011669 -0.002305 -0.007857 0.001827 0.031659 0.000812 0.002364 0.020088 -0.014876 -0.017787 0.007744 -0.008244 0.124420 -0.045390 0.003755 -0.008257 0.003178 -0.097998 0.068915 -0.719862 0.005719 0.034002 0.012410 0.100407 0.021519 -0.614359 -0.022981 -0.000244 -0.003652 -0.082798 -0.109483 -0.029747 -0.011054 0.009664 0.020866 0.004770 -0.024974 0.018931 -0.000870 0.031375 0.023856 0.002337 0.016977 0.019379 -0.005037 0.013939 -0.000402 0.000320 -0.002674 0.024699 -0.159855 -0.159130 -0.092918 -0.015443 0.002982 -0.014607 0.007731 -0.000447 0.004754 0.019762 -0.000842 -0.030310 0.064716 -0.148114 -0.133646 0.148111 -0.267670 -0.335714 -0.018911 0.011349 0.015378 -0.018880 -0.107973 1.008908 -0.086864 -0.003001 0.019607 -0.003682 -0.022277 0.042695 -0.019434 0.003425 -0.002653 0.026515 0.034405 0.695868 -0.151008 0.029358 0.004808 0.014950 0.021000 0.005249 -0.028922 0.009279 0.015466 -0.168732 0.180404 0.114692 0.029574 0.014716 0.009718 0.039491 0.283781 0.786302 -0.065435 -0.004988 0.021144 0.009599 -0.143553 0.120906 0.032714 -0.005837 -0.001150 0.060814 -0.000348 -0.012509 0.151715 0.343045 0.069609 -0.000791 -0.009109 0.008412 0.006882 -0.002704 0.018907 0.450267 0.324194 -0.176610 -0.022300 0.017762 0.016424 0.506732 0.081329 0.481963 -0.006512 0.003681 0.000388 -0.408080 -0.068924 -0.514308 0.008007 -0.000312 0.028966 0.010222 -0.000189 0.012527 0.013384 -0.011586 -0.048957 0.013113 -0.013392 -0.000418 -0.030688 -0.005096 0.022505 -0.407806 -0.194420 -0.005704 0.018895 -0.005419 0.009794 -0.496267 -0.236751 0.211264 0.008232 -0.018221 0.017236 0.391702 0.176344 -0.135315 -0.001792 -0.011187 0.005269 0.012672 -0.002652 0.002001 -0.013531 -0.276942 -0.324383 -0.008564 0.016026 0.014560 0.000528 0.006493 0.015031 -0.061968 -0.048944 -0.316058 0.191533 -0.059613 0.168247 -0.122374 -0.058145 0.268021 0.005431 -0.060287 0.022297 -0.008642 -0.149267 -0.100449 -0.009473 0.002362 0.000246 0.048816 -0.006162 0.002338 0.039250 0.003570 0.012055 0.047230 0.147871 -0.184229 0.011422 0.016165 -0.337290 0.011099 0.006181 -0.013842 -0.135813 0.065936 0.283689 0.007165 0.017374 0.016896 0.022841 0.059603 -0.394730 -0.030493 0.000600 0.024358 -0.033003 0.001805 -0.375683 0.000614 -0.021257 0.010331 0.139733 0.168197 0.409412 -0.000642 -0.010140 0.008243 0.000913 -0.024383 -0.000679 -0.001568 0.002399 0.031613 -0.001027 0.003715 0.014965 -0.012245 -0.027815 0.007133 -0.010376 0.122390 -0.047520 0.008430 0.004003 0.006641 -0.097137 0.069172 -0.720373 0.011037 0.004145 0.016107 0.100117 0.021869 -0.615448 -0.005898 -0.001162 0.009196 -0.084020 -0.109601 -0.030061 -0.009812 0.018389 0.019765 -0.005568 -0.014964 0.019668 0.000885 0.006800 0.026247 -0.004596 0.007924 0.021333 0.002176 0.016937 0.001777 -0.024062 -0.000941 0.014108 -0.160457 -0.159108 -0.093749 -0.000091 0.001152 0.009933 0.002215 -0.000674 -0.011016 0.018125 0.002305 -0.007994 0.064698 -0.148884 -0.132988 0.148374 -0.269637 -0.334515 -0.004012 0.004960 0.011817 -0.021358 -0.107816 1.013275 -0.030344 -0.003716 0.013785 -0.004336 -0.022480 0.043510 -0.005715 0.002401 -0.002366 0.020226 0.021004 0.446015 -0.150992 0.030468 0.005528 0.010440 0.008785 0.010699 -0.027515 0.005415 0.013220 -0.169159 0.182785 0.110870 0.018548 0.008722 0.005282 0.044471 0.288782 0.778689 -0.013787 0.001332 0.014695 0.010451 -0.143388 0.119385 0.009794 -0.003902 0.002845 0.052933 -0.002846 -0.015413 0.152035 0.343527 0.069857 0.003503 -0.004342 0.009446 0.008897 -0.000283 0.017765 0.451231 0.326544 -0.176915 -0.006416 0.009923 0.011125 0.505149 0.081152 0.480202 -0.005793 0.004122 0.005312 -0.408075 -0.069176 -0.515546 0.007081 0.000800 0.026708 0.001087 0.000368 0.008533 0.013517 -0.012528 -0.047926 0.009719 -0.001173 0.006242 -0.028941 -0.002739 0.017209 -0.409299 -0.196576 -0.008051 0.009648 -0.001061 0.004557 -0.494520 -0.241029 0.210901 0.009044 -0.006249 0.015627 0.392031 0.176560 -0.133498 -0.002219 -0.006789 0.004915 0.001755 -0.002417 0.005502 -0.013144 -0.277378 -0.323258 -0.002246 0.008633 0.015421 0.003473 -0.000276 0.016042 -0.058803 -0.044862 -0.271884 0.190483 -0.059121 0.167308 -0.122130 -0.059450 0.266467 0.005262 -0.060443 0.021064 -0.009489 -0.149035 -0.100215 -0.008750 0.003159 -0.000227 0.077600 -0.008804 -0.000647 0.031415 0.001835 0.009544 0.046470 0.147699 -0.183849 0.010926 0.016103 -0.337454 0.007621 0.004642 -0.015245 -0.135637 0.068183 0.282193 0.006380 0.015123 0.015274 0.022551 0.059551 -0.395532 -0.031571 0.000592 0.025708 -0.033906 0.001268 -0.376232 -0.000484 -0.019148 0.008918 0.138948 0.168652 0.408413 -0.000928 -0.013302 0.006816 -0.000472 -0.021918 -0.001187 -0.002900 0.002974 0.031344 -0.000712 0.003220 0.014995 -0.012914 -0.024287 0.009035 -0.010290 0.122566 -0.048157 0.006881 0.001644 0.004704 -0.097265 0.069057 -0.721083 0.009426 0.009320 0.015164 0.099982 0.021744 -0.616807 -0.009430 -0.000930 0.006327 -0.084198 -0.109225 -0.031296 -0.010682 0.016550 0.021061 -0.004034 -0.016541 0.018825 0.000692 0.010128 0.024361 -0.003577 0.009543 0.020221 0.000401 0.015755 0.001148 -0.017113 -0.000756 0.015026 -0.159604 -0.159119 -0.094532 -0.002450 0.001226 0.005964 0.002823 -0.000470 -0.008637 0.017675 0.001598 -0.012888 0.064278 -0.148884 -0.133959 0.148561 -0.265722 -0.334892 -0.000815 0.001202 0.014229 -0.020981 -0.107525 1.014585 -0.037987 -0.004540 0.018806 -0.008766 -0.022590 0.043250 -0.006209 0.002221 -0.000910 0.012015 0.017739 0.411032 -0.151169 0.033713 0.004706 0.009319 0.007294 0.011133 -0.027305 0.003952 0.015167 -0.168937 0.181494 0.111153 0.018148 0.010501 0.004012 0.044118 0.287629 0.780793 -0.013849 0.001547 0.019960 0.014404 -0.143517 0.120030 0.008200 -0.003853 0.004792 0.049773 -0.003082 -0.023662 0.151615 0.342893 0.069576 0.003299 -0.004195 0.009089 0.013945 0.000299 0.020413 0.448973 0.322163 -0.176999 -0.005452 0.015147 0.013488 0.505425 0.080997 0.480074 -0.005340 0.004375 0.008158 -0.409834 -0.069599 -0.509610 0.007805 0.001130 0.021809 0.003961 -0.000793 0.009647 0.013383 -0.016082 -0.049197 0.008706 0.000553 0.007136 -0.027565 0.000024 0.020273 -0.407049 -0.195409 -0.008439 0.009857 -0.003876 0.003570 -0.495488 -0.239355 0.211085 0.009383 -0.007498 0.017511 0.392073 0.176455 -0.134497 -0.001340 -0.006680 0.003451 0.003517 -0.002719 0.004713 -0.013520 -0.277175 -0.323263 -0.002104 0.008480 0.016620 0.004752 -0.001434 0.021161 -0.049442 -0.032785 -0.115976 0.189466 -0.059440 0.168997 -0.122947 -0.060167 0.267167 0.005260 -0.061103 0.019498 -0.011061 -0.148488 -0.097666 -0.004683 0.003588 0.001361 0.141141 -0.012572 -0.001820 0.016673 0.000046 0.008534 0.044719 0.147111 -0.180735 0.011173 0.016209 -0.333551 0.003377 0.003614 -0.014550 -0.136364 0.066839 0.283141 0.006283 0.008620 0.012510 0.021824 0.059377 -0.391813 -0.033014 0.000660 0.033774 -0.033055 0.000935 -0.374471 -0.001678 -0.013119 0.006958 0.139742 0.167087 0.408230 -0.002111 -0.023181 0.006358 -0.002461 -0.012362 -0.001184 -0.004594 0.001804 0.029501 0.001493 0.002365 0.017532 -0.013447 -0.014090 0.012222 -0.008757 0.122866 -0.046675 0.003729 -0.003932 0.004196 -0.097893 0.068824 -0.720306 0.006536 0.022192 0.013551 0.100562 0.021487 -0.615087 -0.015579 -0.000362 -0.000443 -0.083370 -0.109331 -0.030167 -0.010568 0.009267 0.022652 0.000985 -0.018980 0.017857 0.001291 0.019557 0.023475 -0.000093 0.012182 0.018396 -0.002787 0.012987 0.000800 0.007035 -0.001928 0.023294 -0.158515 -0.159146 -0.093044 -0.012036 0.001910 -0.003784 0.005643 0.000189 0.001038 0.016726 -0.000122 -0.022047 0.064724 -0.147576 -0.134275 0.149330 -0.265067 -0.334814 -0.008799 0.004257 0.015084 -0.020664 -0.107665 1.011916 -0.062223 -0.003099 0.018736 -0.004297 -0.021757 0.042952 -0.012413 0.002616 -0.003419 -0.006151 0.002114 0.235120 -0.151587 0.029045 0.004997 0.011338 0.013065 0.008238 -0.025683 0.003927 0.013671 -0.168784 0.180429 0.113382 0.022841 0.012724 0.008331 0.043048 0.285466 0.782706 -0.035917 -0.002462 0.022827 0.010017 -0.143631 0.120962 0.019717 -0.005082 0.000360 0.048861 -0.000816 -0.017188 0.152150 0.342988 0.069614 0.001145 -0.007361 0.007524 0.009902 -0.000367 0.018696 0.449667 0.321184 -0.176128 -0.013342 0.017210 0.015369 0.509089 0.081182 0.481067 -0.004994 0.004473 0.004537 -0.408902 -0.069516 -0.506664 0.007801 0.000302 0.020890 0.008860 -0.000670 0.010770 0.013133 -0.011372 -0.049068 0.009530 -0.006462 0.003597 -0.027773 0.000068 0.020736 -0.407212 -0.194847 -0.006827 0.013835 -0.006667 0.007985 -0.499349 -0.237506 0.211095 0.008145 -0.012278 0.017402 0.391779 0.176266 -0.136451 -0.001196 -0.008757 0.005598 0.009920 -0.002458 0.002731 -0.013448 -0.277175 -0.323867 -0.004979 0.013171 0.016431 0.003677 0.003495 0.017657 -0.032092 -0.008945 0.199314 0.190701 -0.059250 0.169603 -0.122942 -0.060306 0.268084 0.005025 -0.062066 0.016746 -0.011538 -0.148799 -0.092314 0.004960 0.005871 0.008990 0.273328 -0.022853 -0.012311 -0.011858 -0.005286 0.004486 0.043388 0.148157 -0.174240 0.012218 0.016353 -0.325452 -0.009658 0.000616 -0.010928 -0.135655 0.066574 0.283012 0.006306 -0.006156 0.006939 0.020870 0.059095 -0.387700 -0.037670 0.000884 0.048876 -0.032518 -0.001398 -0.371506 -0.003352 0.000613 0.003426 0.139174 0.167345 0.407852 -0.005253 -0.042456 0.004031 -0.008512 0.005424 -0.002241 -0.008964 0.000042 0.021418 0.004856 0.000833 0.021116 -0.014080 0.005602 0.017492 -0.007016 0.125570 -0.043858 -0.001886 -0.013854 0.001914 -0.098273 0.068734 -0.719659 0.001067 0.047228 0.009754 0.100669 0.021181 -0.614427 -0.026540 0.000777 -0.016153 -0.082336 -0.109411 -0.027445 -0.010534 -0.003831 0.025036 0.010145 -0.022638 0.017057 0.000596 0.037743 0.020632 0.006988 0.016295 0.013327 -0.007947 0.005648 -0.001648 0.053405 -0.003085 0.036419 -0.159301 -0.159112 -0.093236 -0.028814 0.003377 -0.019803 0.010683 0.000509 0.022113 0.015378 -0.002808 -0.038271 0.064665 -0.148046 -0.133960 0.148934 -0.263069 -0.333859 -0.022342 0.007611 0.016636 -0.017923 -0.107782 1.011031 -0.108828 -0.001712 0.020443 -0.006083 -0.022386 0.042509 -0.024162 0.002590 -0.001554 -0.041049 -0.023370 -0.103601 -0.150615 0.031624 0.004654 0.015698 0.024288 0.002317 -0.024695 0.007020 0.014095 -0.168312 0.180406 0.116783 0.030871 0.015400 0.015905 0.037999 0.280289 0.790029 -0.075917 -0.009432 0.025838 0.011936 -0.143759 0.121018 0.039503 -0.006502 -0.002082 0.042834 0.000416 -0.002994 0.151357 0.342978 0.069589 -0.003390 -0.010722 0.005098 0.004212 -0.004613 0.013894 0.446709 0.319684 -0.172853 -0.026804 0.023191 0.020207 0.506883 0.081288 0.483127 -0.005317 0.003412 -0.003324 -0.408751 -0.069056 -0.512455 0.007586 -0.000638 0.025025 0.018629 -0.004402 0.013223 0.013496 -0.014275 -0.049892 0.010516 -0.019232 -0.002140 -0.026334 -0.001666 0.019270 -0.403127 -0.195015 -0.004052 0.020579 -0.010528 0.016197 -0.496351 -0.232956 0.212593 0.005849 -0.019574 0.018388 0.391749 0.176069 -0.135251 -0.000345 -0.011900 0.004025 0.018394 -0.000998 -0.000475 -0.013605 -0.277179 -0.324407 -0.009432 0.016977 0.010453 0.001961 0.013355 0.014105 -0.037665 -0.016656 0.099354 0.192416 -0.059379 0.170209 -0.122497 -0.058377 0.269611 0.005228 -0.061536 0.019014 -0.010665 -0.148623 -0.092875 0.003379 0.004823 0.008356 0.226555 -0.020259 -0.010298 -0.001541 -0.003671 0.005589 0.044346 0.148046 -0.175186 0.012732 0.016172 -0.325813 -0.004564 0.001994 -0.009652 -0.136062 0.064972 0.284855 0.006426 -0.002127 0.009772 0.020786 0.059083 -0.388332 -0.036365 0.000975 0.044989 -0.031331 -0.000109 -0.371325 -0.002059 -0.003093 0.005223 0.140207 0.167351 0.409108 -0.003697 -0.035693 0.005857 -0.005889 -0.000979 -0.001665 -0.007122 0.000298 0.024029 0.003870 0.001603 0.020446 -0.013292 -0.000486 0.013833 -0.007145 0.124830 -0.042544 0.000460 -0.009650 0.004760 -0.097926 0.068890 -0.719191 0.003340 0.038332 0.011466 0.100797 0.021381 -0.613703 -0.020956 0.000332 -0.011578 -0.082635 -0.109680 -0.026060 -0.010170 0.000557 0.022195 0.007137 -0.019885 0.018239 0.001022 0.031187 0.022888 0.004468 0.013128 0.016243 -0.005973 0.007442 -0.000341 0.039557 -0.002441 0.032676 -0.160719 -0.159121 -0.092682 -0.023823 0.003132 -0.012691 0.009395 -0.000204 0.016221 0.014662 -0.001806 -0.030630 0.064877 -0.148400 -0.132861 0.148718 -0.267199 -0.333456 -0.023258 0.008262 0.014178 -0.018255 -0.107923 1.011807 -0.096163 -0.001318 0.016024 -0.004785 -0.022308 0.043162 -0.021895 0.003061 0.001546 -0.031227 -0.015403 -0.015457 -0.150546 0.031631 0.005660 0.017096 0.024130 0.002243 -0.025213 0.008566 0.009602 -0.168570 0.181260 0.116553 0.029339 0.013243 0.016031 0.038993 0.284286 0.788139 -0.066074 -0.009210 0.019580 0.011253 -0.143559 0.121575 0.037989 -0.005860 -0.002845 0.046104 0.001431 0.004443 0.151880 0.343236 0.070268 -0.002756 -0.009472 0.005678 0.001908 -0.004267 0.012273 0.451101 0.323940 -0.173193 -0.026865 0.020203 0.017347 0.505775 0.081350 0.483588 -0.005197 0.002920 -0.005373 -0.407662 -0.069075 -0.517286 0.005948 -0.000981 0.029187 0.014422 -0.004334 0.013029 0.013766 -0.013910 -0.048325 0.011632 -0.018572 -0.003567 -0.025316 -0.005097 0.015350 -0.407546 -0.195612 -0.003325 0.019959 -0.005126 0.015365 -0.494347 -0.237158 0.213405 0.005384 -0.018345 0.014412 0.392018 0.176259 -0.133640 -0.000734 -0.011453 0.005270 0.016047 -0.000784 0.000752 -0.013236 -0.277102 -0.325861 -0.010095 0.015660 0.011506 0.000835 0.012280 0.006849 -0.040246 -0.020091 0.056471 0.191420 -0.059094 0.169451 -0.122248 -0.059673 0.268230 0.005271 -0.061437 0.018992 -0.010581 -0.148676 -0.093846 0.001235 0.004530 0.007014 0.207589 -0.018931 -0.007552 0.004018 -0.003262 0.006175 0.044706 0.147860 -0.176340 0.012268 0.016032 -0.327804 -0.002282 0.002569 -0.010485 -0.135717 0.067156 0.283692 0.006304 -0.000619 0.010480 0.021162 0.059114 -0.389854 -0.036497 0.000859 0.042644 -0.032373 -0.000344 -0.372228 -0.002268 -0.004863 0.005518 0.139593 0.167997 0.408749 -0.003470 -0.033194 0.005893 -0.005208 -0.003938 -0.001642 -0.006684 0.000709 0.025550 0.003525 0.001748 0.019917 -0.013368 -0.003180 0.013772 -0.007841 0.124471 -0.043766 0.001095 -0.008781 0.004709 -0.097725 0.068800 -0.719452 0.004091 0.035185 0.011849 0.100608 0.021350 -0.614993 -0.020311 -0.000024 -0.009767 -0.082941 -0.109341 -0.027499 -0.010237 0.002041 0.022578 0.006086 -0.020249 0.018454 0.001122 0.029258 0.023522 0.003753 0.013583 0.017520 -0.005388 0.008599 -0.000166 0.033705 -0.002905 0.031042 -0.159867 -0.159152 -0.093147 -0.021929 0.002808 -0.011199 0.008236 -0.000407 0.013152 0.015532 -0.001549 -0.029249 0.064730 -0.148587 -0.133214 0.149112 -0.264323 -0.333791 -0.020097 0.008441 0.014768 -0.018180 -0.107877 1.012801 -0.087393 -0.001967 0.017193 -0.007486 -0.022359 0.043020 -0.019520 0.002852 0.000682 -0.024667 -0.010117 0.030401 -0.150549 0.033770 0.005283 0.015850 0.021183 0.003881 -0.025389 0.007442 0.011045 -0.168529 0.181301 0.115927 0.027832 0.012470 0.013655 0.039561 0.283688 0.787975 -0.061629 -0.006616 0.020272 0.013771 -0.143668 0.121564 0.033127 -0.005624 -0.000789 0.046498 0.000886 -0.000654 0.151626 0.343328 0.070012 -0.002129 -0.008614 0.006265 0.003659 -0.002945 0.014490 0.449715 0.320774 -0.173881 -0.022501 0.019421 0.016571 0.506346 0.081311 0.483162 -0.005093 0.002809 -0.003174 -0.409181 -0.069569 -0.512061 0.006838 -0.000649 0.026034 0.012569 -0.003890 0.012515 0.013987 -0.016337 -0.048778 0.011293 -0.015459 -0.001738 -0.024898 -0.003523 0.016542 -0.406333 -0.195634 -0.003990 0.017912 -0.004188 0.013487 -0.495390 -0.236419 0.213054 0.005862 -0.017526 0.016385 0.392257 0.176191 -0.133348 -0.000703 -0.010763 0.004536 0.015518 -0.001083 0.000969 -0.013584 -0.277705 -0.324802 -0.009161 0.014626 0.011994 0.000214 0.009994 0.009354 -0.038794 -0.018719 0.068295 0.190856 -0.059119 0.169257 -0.122361 -0.060443 0.267310 0.005271 -0.061651 0.018252 -0.010655 -0.148780 -0.094247 0.001772 0.004226 0.006310 0.185815 -0.017840 -0.003431 -0.000463 -0.002693 0.006171 0.044690 0.148071 -0.176699 0.011934 0.016176 -0.327822 -0.003316 0.001881 -0.009618 -0.135887 0.067771 0.282774 0.006831 -0.000669 0.009668 0.021409 0.059139 -0.389913 -0.033503 0.000576 0.038836 -0.032994 -0.000401 -0.372151 -0.001621 -0.004589 0.005146 0.139754 0.167630 0.408369 -0.003951 -0.029861 0.005589 -0.005030 -0.002444 -0.001881 -0.005585 0.000446 0.024207 0.003446 0.001478 0.019034 -0.013531 -0.002047 0.014472 -0.007801 0.124280 -0.044008 0.000435 -0.007254 0.003659 -0.097751 0.068759 -0.719729 0.003828 0.031594 0.011362 0.100670 0.021332 -0.615328 -0.017815 0.000575 -0.010698 -0.082895 -0.109237 -0.028288 -0.010633 0.001504 0.023166 0.005728 -0.019279 0.017771 0.001434 0.025738 0.021830 0.003399 0.012595 0.016129 -0.004191 0.007860 -0.000912 0.035606 -0.002346 0.028543 -0.159041 -0.159141 -0.093273 -0.020826 0.002782 -0.009841 0.007415 -0.000213 0.013365 0.015240 -0.001540 -0.027667 0.064816 -0.148293 -0.133722 0.149883 -0.260988 -0.333569 -0.017789 0.008502 0.015351 -0.018270 -0.107834 1.012715 -0.078972 -0.002185 0.018660 -0.005520 -0.022061 0.042682 -0.018511 0.002495 -0.003636 -0.026870 -0.010710 0.030388 -0.150799 0.031844 0.005084 0.015077 0.019873 0.004131 -0.024765 0.006670 0.011383 -0.168756 0.180748 0.115900 0.026821 0.011486 0.013376 0.040012 0.282857 0.787336 -0.055442 -0.005616 0.021081 0.011692 -0.143613 0.121421 0.030843 -0.005318 -0.000177 0.043425 0.000685 -0.002931 0.151832 0.343288 0.069750 -0.001973 -0.007974 0.005862 0.004616 -0.003400 0.015852 0.449920 0.317359 -0.173158 -0.019533 0.017212 0.017928 0.506474 0.081198 0.482752 -0.003975 0.003865 -0.001545 -0.409183 -0.069913 -0.508275 0.007059 -0.000469 0.021766 0.014786 -0.003968 0.012555 0.013792 -0.014427 -0.049200 0.010441 -0.014361 -0.000627 -0.024336 -0.002074 0.018418 -0.406260 -0.195266 -0.004305 0.016711 -0.004217 0.013066 -0.495603 -0.235576 0.213326 0.006119 -0.016337 0.015389 0.391727 0.176135 -0.134404 -0.000482 -0.010194 0.004731 0.014619 -0.001108 0.001217 -0.013420 -0.277740 -0.325105 -0.008713 0.013910 0.011888 0.001618 0.009367 0.012637 -0.035066 -0.014989 0.113768 0.189933 -0.058938 0.169416 -0.122506 -0.061202 0.266871 0.005693 -0.062071 0.017305 -0.011391 -0.148684 -0.094314 0.004131 0.003244 0.005914 0.116387 -0.007953 0.001469 -0.005399 -0.003481 0.008265 0.044051 0.148095 -0.176435 0.011356 0.016022 -0.325807 -0.006120 0.000597 -0.005310 -0.136395 0.067753 0.282688 0.007259 -0.001733 0.007464 0.021555 0.058857 -0.391229 -0.023593 -0.000217 0.027139 -0.032598 0.000228 -0.370888 0.000338 -0.003198 0.004351 0.140262 0.167092 0.407802 -0.002102 -0.018092 0.005395 -0.003905 0.001289 -0.001444 -0.002013 -0.000277 0.020081 0.003543 0.000681 0.017349 -0.014528 0.002179 0.017174 -0.007181 0.123534 -0.043189 -0.001086 -0.001743 0.003546 -0.097963 0.068603 -0.719876 0.003682 0.019990 0.011211 0.100995 0.021183 -0.615787 -0.008046 0.001568 -0.011299 -0.083090 -0.109328 -0.026814 -0.011700 -0.002250 0.024539 0.003085 -0.014141 0.015344 0.002955 0.014338 0.019613 0.002048 0.009413 0.010658 -0.001891 0.005507 -0.001147 0.042591 -0.002060 0.022591 -0.158272 -0.159130 -0.093207 -0.018694 0.002783 -0.004954 0.005027 0.000184 0.014981 0.014414 -0.001475 -0.021426 0.065033 -0.147746 -0.134322 0.150768 -0.261353 -0.332584 -0.013540 -0.001418 0.016785 -0.018160 -0.107804 1.014316 -0.064103 -0.001552 0.017097 -0.004719 -0.021848 0.042139 -0.016808 0.001592 -0.001474 -0.029016 -0.016715 -0.012332 -0.151023 0.030811 0.004572 0.012935 0.015583 0.005798 -0.022746 0.002216 0.012460 -0.168945 0.179479 0.115820 0.022966 0.011711 0.014550 0.040599 0.283432 0.785673 -0.024829 -0.002786 0.018351 0.010872 -0.143761 0.121831 0.024283 -0.004679 0.000334 0.033790 0.000607 -0.004806 0.152035 0.342916 0.069029 -0.001378 -0.007194 0.004502 0.005282 -0.000373 0.015610 0.451447 0.317514 -0.171589 -0.012946 0.024204 0.018995 0.509208 0.081227 0.482176 -0.003084 0.005109 -0.001121 -0.409081 -0.069805 -0.507543 0.006874 -0.000105 0.019954 0.016357 -0.003133 0.013636 0.013723 -0.013563 -0.049945 0.007343 -0.012111 0.002092 -0.022745 0.003180 0.018247 -0.407354 -0.194524 -0.004519 0.013730 -0.008893 0.015938 -0.498433 -0.235803 0.213061 0.007050 -0.013297 0.015402 0.391592 0.176058 -0.136067 -0.000072 -0.009027 0.004603 0.015293 -0.001114 0.001884 -0.013435 -0.277598 -0.327333 -0.007244 0.012273 0.013013 0.002712 0.006112 0.013964 -0.027948 -0.007535 0.204828 0.191370 -0.059066 0.171082 -0.123159 -0.059937 0.268737 0.006156 -0.062554 0.016353 -0.011339 -0.149713 -0.093195 0.011241 0.001709 0.008420 -0.018423 0.002114 0.015268 -0.016008 -0.005258 0.011025 0.043584 0.149996 -0.174634 0.010645 0.015980 -0.319971 -0.013058 -0.001857 0.005738 -0.136235 0.064977 0.283711 0.008357 -0.003850 0.004651 0.022624 0.058618 -0.391796 -0.005729 -0.001921 0.007045 -0.031076 0.001254 -0.366764 0.003756 0.000084 0.003306 0.140189 0.166575 0.407939 0.000359 0.004645 0.006263 -0.002846 0.009513 -0.000495 0.005195 -0.002201 0.011181 0.004512 -0.000350 0.014762 -0.016672 0.009859 0.020531 -0.006111 0.123414 -0.040878 -0.003578 0.008111 0.003567 -0.098620 0.068554 -0.719328 0.003378 -0.000958 0.010071 0.101152 0.020948 -0.614221 0.006789 0.003937 -0.014483 -0.083468 -0.109739 -0.021459 -0.013212 -0.009735 0.025988 -0.000338 -0.003760 0.010639 0.007351 -0.007261 0.015976 0.001359 0.000858 0.003482 0.002131 -0.000811 -0.001790 0.059403 -0.002632 0.011601 -0.159807 -0.158866 -0.092924 -0.015258 0.002985 0.007277 -0.001257 0.001099 0.019554 0.011199 -0.000368 -0.007110 0.065154 -0.147573 -0.133759 0.150460 -0.264345 -0.329153 0.000035 -0.009932 0.014673 -0.017234 -0.107294 1.020574 -0.014168 -0.000548 0.011296 -0.003464 -0.022065 0.042011 -0.007713 -0.000087 -0.006043 -0.033205 -0.025109 -0.108968 -0.150512 0.030279 0.005080 0.009009 0.004996 0.008736 -0.013034 -0.006286 0.006072 -0.169224 0.179553 0.116212 0.009210 0.005494 0.016929 0.039334 0.280804 0.782702 0.022715 0.000721 0.009046 0.009440 -0.143628 0.122105 0.008166 -0.002378 0.002588 0.008724 0.001622 0.000478 0.151568 0.343064 0.069251 -0.000616 -0.006096 -0.001525 0.003270 0.005539 0.015493 0.448416 0.321477 -0.165570 0.002124 0.020905 0.018195 0.507936 0.080894 0.482016 -0.000865 0.006017 -0.000729 -0.407555 -0.068941 -0.517713 0.002848 0.000195 0.019149 0.016838 0.000359 0.017470 0.013738 -0.012781 -0.050132 0.001536 -0.004798 0.005649 -0.015973 0.007775 0.014440 -0.403910 -0.195044 -0.003717 0.005338 -0.008566 0.016932 -0.496691 -0.232787 0.213622 0.005628 -0.000978 0.012677 0.391241 0.176064 -0.135287 0.001830 -0.005067 0.002864 0.015412 -0.000338 0.003365 -0.013420 -0.276993 -0.326959 -0.002631 0.008190 0.008532 0.003635 0.000831 0.011453 -0.015113 0.006919 0.393544 0.191105 -0.058137 0.173388 -0.122919 -0.061760 0.268869 0.006938 -0.063644 0.014646 -0.012459 -0.150840 -0.090432 0.023317 -0.000598 0.011121 -0.296196 0.021258 0.043740 -0.038866 -0.008104 0.017334 0.042396 0.152703 -0.170914 0.007917 0.015685 -0.308728 -0.023060 -0.004825 0.026086 -0.136033 0.066822 0.283794 0.010994 -0.009923 -0.000356 0.024202 0.058042 -0.394675 0.027992 -0.005651 -0.034982 -0.030557 0.003387 -0.359245 0.011277 0.007817 0.002545 0.139788 0.166348 0.407913 0.004180 0.047839 0.007439 0.000379 0.021563 0.002045 0.020476 -0.005581 -0.004649 0.006683 -0.001986 0.009123 -0.020127 0.027145 0.026598 -0.004183 0.121913 -0.035740 -0.008969 0.027778 0.003698 -0.099205 0.068194 -0.718100 0.003647 -0.044435 0.007192 0.101498 0.020601 -0.614760 0.036793 0.008437 -0.021986 -0.084571 -0.109448 -0.013764 -0.016564 -0.024286 0.028070 -0.006149 0.016939 0.003528 0.014151 -0.051415 0.010536 -0.000569 -0.014137 -0.007516 0.009941 -0.011911 -0.002684 0.092625 -0.000794 -0.009729 -0.159389 -0.158397 -0.091979 -0.009739 0.003256 0.031143 -0.012016 0.003006 0.028630 0.006518 -0.000221 0.020009 0.065017 -0.147173 -0.133263 0.153287 -0.258134 -0.323034 0.028663 -0.028995 0.014566 -0.013849 -0.106933 1.034055 0.091064 0.006926 0.001406 -0.007047 -0.021580 0.041900 0.007274 -0.002577 -0.014359 -0.036192 -0.039802 -0.319593 -0.150587 0.033925 0.005264 -0.000957 -0.016067 0.015942 0.001969 -0.026223 -0.001429 -0.170557 0.176313 0.118509 -0.011090 -0.008472 0.024573 0.038464 0.277809 0.780089 0.117327 0.009043 -0.007924 0.012781 -0.143277 0.125794 -0.025745 0.003472 0.008464 -0.045696 0.002697 0.007706 0.151338 0.342869 0.069108 0.000976 0.001855 -0.011142 0.002564 0.017118 0.016581 0.449601 0.315643 -0.155397 0.037976 0.019591 0.015203 0.509313 0.080987 0.482561 0.007061 0.007605 -0.002112 -0.409231 -0.069239 -0.514650 -0.002429 0.004328 0.006515 0.015601 -0.000674 0.022315 0.014025 -0.016542 -0.050901 -0.009692 0.010024 0.013408 0.000703 0.022158 0.005200 -0.404051 -0.192871 -0.000747 -0.014525 -0.006910 0.018869 -0.497719 -0.229181 0.215786 0.004117 0.015714 0.004905 0.391586 0.176021 -0.135013 0.005253 0.002855 0.000646 0.015112 0.000872 0.005877 -0.013759 -0.277027 -0.330222 0.003936 -0.002148 -0.000385 0.001982 -0.013559 0.004179 -0.024471 -0.002878 0.267797 0.192040 -0.058897 0.172340 -0.123125 -0.059917 0.269518 0.006196 -0.062789 0.016638 -0.011420 -0.150415 -0.091118 0.015991 0.002023 0.010694 -0.100139 0.011166 0.025278 -0.023176 -0.007002 0.012777 0.043401 0.151429 -0.172421 0.009561 0.016058 -0.315284 -0.016477 -0.002001 0.013059 -0.135984 0.065231 0.284333 0.009022 -0.006092 0.003618 0.023135 0.058559 -0.391997 0.004700 -0.003434 -0.004724 -0.030861 0.002062 -0.363643 0.005714 0.002963 0.004176 0.139892 0.166801 0.408702 0.001136 0.019064 0.007288 -0.002125 0.012719 0.001029 0.009744 -0.002762 0.006158 0.005753 -0.000348 0.013416 -0.017328 0.015678 0.020954 -0.005427 0.122968 -0.038084 -0.004637 0.013097 0.004560 -0.098876 0.068479 -0.718261 0.004285 -0.013673 0.009005 0.101215 0.020968 -0.613896 0.012206 0.005593 -0.017571 -0.083894 -0.109704 -0.017532 -0.014586 -0.013609 0.025264 -0.001179 0.002933 0.008784 0.009918 -0.020689 0.015985 0.001205 -0.003893 0.001540 0.004178 -0.004953 -0.001512 0.070993 -0.001447 0.006210 -0.160481 -0.158679 -0.092388 -0.013353 0.003240 0.014785 -0.004496 0.001941 0.023330 0.009859 0.000006 0.002252 0.065003 -0.147787 -0.132825 0.150878 -0.262572 -0.326337 0.009373 -0.015201 0.012290 -0.016420 -0.107428 1.026101 0.023130 0.005096 0.004810 -0.005232 -0.021751 0.042286 -0.000597 -0.001360 -0.007250 -0.035724 -0.030519 -0.192262 -0.150527 0.032226 0.005670 0.004744 -0.004923 0.010287 -0.005425 -0.012919 0.000234 -0.169436 0.180050 0.117675 0.001367 -0.003875 0.021083 0.039185 0.279362 0.783135 0.054246 0.004026 -0.001183 0.011059 -0.143528 0.123186 -0.005705 0.000263 0.005113 -0.012431 0.002024 0.010667 0.151603 0.342990 0.069925 0.000550 -0.002708 -0.004303 -0.000127 0.007969 0.013592 0.449641 0.320248 -0.161321 0.016723 0.015689 0.013706 0.506968 0.081085 0.483345 0.002400 0.004575 -0.002373 -0.408150 -0.069154 -0.518863 -0.000544 0.002439 0.014195 0.013916 -0.002935 0.019126 0.013902 -0.014402 -0.049489 -0.003694 0.001100 0.007570 -0.006121 0.012875 0.008996 -0.404918 -0.195634 -0.001999 -0.003532 -0.004595 0.016917 -0.495361 -0.231475 0.214926 0.002638 0.004562 0.007082 0.391528 0.176199 -0.133425 0.003645 -0.001571 0.001804 0.015751 0.000334 0.004497 -0.013577 -0.276637 -0.327265 0.000569 0.002378 0.002738 0.000589 -0.004309 0.006881 -0.027842 -0.008907 0.162495 0.191700 -0.058648 0.172159 -0.123248 -0.060498 0.268719 0.006283 -0.062977 0.016044 -0.011668 -0.150337 -0.091378 0.015746 0.001024 0.009290 -0.126949 0.012948 0.027704 -0.024276 -0.006285 0.012913 0.043185 0.151398 -0.172523 0.009430 0.015879 -0.315164 -0.016500 -0.002608 0.014095 -0.136364 0.065715 0.283552 0.009379 -0.005011 0.002152 0.023083 0.058446 -0.392870 0.008720 -0.003957 -0.010094 -0.031047 0.002054 -0.363353 0.006389 0.002174 0.003116 0.140058 0.166734 0.408163 0.002229 0.023137 0.006743 -0.001533 0.013337 0.001344 0.010724 -0.003418 0.004259 0.004831 -0.000931 0.012801 -0.017488 0.014836 0.021928 -0.005378 0.122740 -0.038285 -0.005592 0.015188 0.003956 -0.099018 0.068414 -0.718754 0.003569 -0.018373 0.008960 0.101190 0.020763 -0.614487 0.017520 0.005644 -0.016964 -0.084233 -0.109682 -0.017782 -0.014325 -0.014631 0.026367 -0.002631 0.005030 0.007039 0.010113 -0.024570 0.013047 0.000810 -0.005232 -0.000236 0.005151 -0.005572 -0.001554 0.066372 -0.001387 0.002108 -0.160322 -0.158690 -0.092892 -0.011589 0.003025 0.015569 -0.005126 0.001927 0.022870 0.008543 -0.000534 0.004581 0.065002 -0.147747 -0.133442 0.151466 -0.261176 -0.326352 0.010148 -0.018663 0.014885 -0.015746 -0.107210 1.025227 0.024661 0.004727 0.006010 -0.004385 -0.021754 0.041586 -0.001094 -0.001665 -0.008899 -0.027489 -0.024428 -0.081347 -0.150430 0.031253 0.005182 0.004962 -0.003823 0.009961 -0.007374 -0.012413 0.003905 -0.169777 0.179134 0.116948 0.004030 -0.000862 0.021341 0.038601 0.279636 0.781552 0.064838 0.004399 0.001670 0.009990 -0.143593 0.123068 -0.005405 0.000003 0.005282 -0.010692 0.001678 0.005665 0.151239 0.343224 0.069196 0.000304 -0.002883 -0.004686 0.001077 0.010683 0.017380 0.449255 0.318657 -0.160829 0.016126 0.019134 0.016306 0.507215 0.080917 0.482777 0.002861 0.006306 -0.001105 -0.408768 -0.069311 -0.518167 0.000754 0.002533 0.013878 0.014688 -0.000193 0.020505 0.014066 -0.013646 -0.050315 -0.003568 0.000328 0.008270 -0.007981 0.013799 0.012018 -0.404396 -0.194995 -0.002867 -0.002158 -0.008358 0.016869 -0.495619 -0.231353 0.214224 0.003472 0.006046 0.011043 0.391469 0.176143 -0.134409 0.003189 -0.001196 0.001618 0.017404 0.000247 0.005281 -0.013865 -0.277149 -0.328684 0.000296 0.002847 0.005620 0.001741 -0.007442 0.008198 -0.036476 -0.023297 -0.077489 0.191056 -0.058141 0.173065 -0.123039 -0.061521 0.268060 0.006700 -0.063271 0.016138 -0.012124 -0.149978 -0.090739 0.015119 0.000470 0.009116 -0.181685 0.011962 0.035451 -0.024924 -0.004660 0.014209 0.042797 0.151396 -0.171402 0.009000 0.015685 -0.312702 -0.015551 -0.004211 0.017885 -0.136718 0.066739 0.283177 0.008190 -0.003002 0.001170 0.023154 0.058194 -0.394205 0.016599 -0.004557 -0.020633 -0.030891 0.002930 -0.361639 0.008376 0.001058 0.003005 0.140432 0.166490 0.407755 0.003605 0.031238 0.006445 -0.000115 0.014137 0.001587 0.013980 -0.004091 0.001179 0.004058 -0.001479 0.011714 -0.018212 0.014692 0.021470 -0.004897 0.121920 -0.036843 -0.006791 0.019131 0.003856 -0.099251 0.068300 -0.718820 0.001949 -0.027703 0.007245 0.101511 0.020612 -0.615192 0.026150 0.005933 -0.016123 -0.084419 -0.109685 -0.016672 -0.013724 -0.016687 0.025669 -0.004204 0.008803 0.003876 0.010451 -0.032535 0.010940 0.000659 -0.007837 -0.003952 0.007452 -0.006535 -0.002010 0.055628 -0.000382 -0.007566 -0.159524 -0.158517 -0.092518 -0.007527 0.002639 0.018753 -0.006444 0.002202 0.021761 0.007280 -0.000687 0.010516 0.065024 -0.147100 -0.133870 0.152868 -0.257225 -0.324449 0.017413 -0.024876 0.016420 -0.014272 -0.107023 1.029310 0.042486 0.004708 0.004018 -0.005870 -0.021494 0.041188 0.000788 -0.001966 -0.011505 -0.010132 -0.008025 0.160908 -0.150532 0.033103 0.004880 0.001327 -0.007113 0.013108 -0.005188 -0.017394 0.004302 -0.170212 0.177415 0.117457 -0.001366 -0.002740 0.021525 0.038025 0.280402 0.781068 0.081412 0.005988 -0.001163 0.011457 -0.143489 0.124759 -0.012454 0.001341 0.007303 -0.015654 0.001926 0.002151 0.151314 0.343371 0.068667 0.000982 -0.001124 -0.006696 0.000159 0.015531 0.019456 0.450749 0.314798 -0.157911 0.023170 0.023556 0.017993 0.508362 0.081016 0.483029 0.004285 0.006599 0.000445 -0.409244 -0.069373 -0.515097 -0.000575 0.002696 0.008908 0.012639 0.000788 0.021666 0.014133 -0.015531 -0.051092 -0.006126 0.003770 0.009894 -0.005340 0.016783 0.011707 -0.405295 -0.193606 -0.001911 -0.003956 -0.008136 0.017261 -0.496763 -0.231387 0.214784 0.004820 0.009737 0.011694 0.391399 0.176002 -0.135103 0.004065 0.000799 0.001323 0.017353 0.000086 0.006991 -0.013866 -0.277421 -0.331452 0.002867 0.002324 0.006994 0.002119 -0.013472 0.005504 -0.035794 -0.023449 -0.091013 0.191575 -0.057961 0.173390 -0.122825 -0.061397 0.268410 0.006402 -0.063450 0.017136 -0.012151 -0.150103 -0.089360 0.013046 -0.000749 0.008887 -0.159748 0.015059 0.029673 -0.020304 -0.002612 0.012687 0.042597 0.151529 -0.169928 0.008795 0.015610 -0.311390 -0.012725 -0.005164 0.017787 -0.136430 0.067229 0.282959 0.007076 -0.000865 0.001541 0.023182 0.058199 -0.394843 0.016298 -0.004207 -0.019960 -0.031141 0.002713 -0.361031 0.008393 -0.000838 0.003381 0.139830 0.166934 0.407888 0.004629 0.029756 0.006931 -0.000391 0.012543 0.002440 0.012386 -0.003966 0.002932 0.002576 -0.001789 0.011330 -0.015868 0.013016 0.020404 -0.004900 0.121939 -0.035904 -0.006545 0.016571 0.003497 -0.099500 0.068160 -0.718638 0.000383 -0.025283 0.005984 0.101374 0.020496 -0.615777 0.024066 0.005012 -0.014557 -0.084551 -0.110037 -0.015848 -0.012009 -0.015410 0.024568 -0.003597 0.009647 0.003100 0.008640 -0.027684 0.009089 0.001352 -0.007554 -0.003442 0.007069 -0.006412 -0.001320 0.045352 0.000038 -0.006464 -0.159977 -0.158525 -0.092692 -0.005037 0.001820 0.017008 -0.005545 0.002325 0.019518 0.006304 -0.000807 0.010040 0.064692 -0.147468 -0.133574 0.152869 -0.255524 -0.323105 0.018894 -0.027913 0.013516 -0.013310 -0.106909 1.031988 0.039248 0.003175 0.002795 -0.007791 -0.021949 0.041291 0.004265 -0.002302 -0.010095 -0.006905 -0.004978 0.187559 -0.150661 0.035210 0.004816 -0.001295 -0.010641 0.012946 -0.004155 -0.018072 0.004016 -0.170521 0.176276 0.117697 -0.003923 -0.000599 0.022648 0.036514 0.278726 0.782174 0.082851 0.005510 -0.005161 0.012965 -0.143620 0.125354 -0.016981 0.002241 0.007827 -0.015844 0.002246 0.002377 0.151044 0.343209 0.068752 0.001331 0.000514 -0.007799 0.000886 0.015608 0.019595 0.449420 0.313200 -0.156354 0.024824 0.023961 0.014752 0.506191 0.080823 0.483999 0.004339 0.004297 0.000828 -0.409671 -0.069481 -0.516860 -0.002001 0.003340 0.008791 0.011426 0.000117 0.021796 0.013863 -0.017830 -0.051256 -0.008475 0.006186 0.009719 -0.001457 0.016288 0.010153 -0.404265 -0.192673 -0.001259 -0.007076 -0.008591 0.015265 -0.494532 -0.229522 0.215942 0.003847 0.010707 0.007810 0.391409 0.175980 -0.134652 0.004394 0.002411 0.001225 0.012888 -0.000195 0.009394 -0.013848 -0.277534 -0.330966 0.003457 0.000960 0.003386 -0.001192 -0.015518 0.004258 -0.034563 -0.024342 -0.134224 0.192897 -0.058057 0.176766 -0.123498 -0.060974 0.269615 0.006111 -0.063911 0.019281 -0.012256 -0.149528 -0.086758 0.009679 -0.001950 0.012207 -0.114189 0.017647 0.036382 -0.006725 -0.000364 0.011892 0.042164 0.151265 -0.166749 0.009732 0.015590 -0.308770 -0.007281 -0.004797 0.017857 -0.137348 0.064949 0.283275 0.003315 0.006997 0.003001 0.022522 0.058249 -0.394179 0.017221 -0.002334 -0.017244 -0.029690 0.003701 -0.359100 0.007622 -0.007300 0.005503 0.140706 0.166020 0.407817 0.005206 0.022116 0.007539 0.000545 0.008339 0.004383 0.007933 -0.003574 0.005366 -0.000837 -0.002300 0.012126 -0.012449 0.009364 0.020174 -0.004019 0.121495 -0.033444 -0.006516 0.010822 0.004150 -0.100623 0.068026 -0.718354 -0.003696 -0.018857 0.003682 0.101595 0.020199 -0.614996 0.022939 0.002976 -0.008527 -0.084516 -0.111115 -0.013571 -0.007891 -0.014736 0.023222 -0.000931 0.010625 -0.002715 0.005872 -0.016853 0.004750 0.003249 -0.005952 -0.004526 0.006839 -0.004827 0.000026 0.014593 0.001650 -0.004735 -0.161557 -0.158289 -0.091771 0.001427 -0.000309 0.012903 -0.002028 0.001528 0.012809 0.004160 -0.001117 0.008994 0.064803 -0.147021 -0.133474 0.153934 -0.254208 -0.319440 0.013139 -0.024492 0.011239 -0.009945 -0.106731 1.034558 0.026368 0.002777 -0.003083 -0.004738 -0.021598 0.040666 0.007994 -0.002392 -0.016697 0.004711 -0.002696 0.224001 -0.150286 0.033250 0.005436 -0.005460 -0.013630 0.010593 0.002185 -0.015227 0.003757 -0.171615 0.174726 0.118619 -0.003875 0.001002 0.018574 0.031636 0.278122 0.780928 0.066899 0.005278 -0.003326 0.009744 -0.143386 0.126998 -0.018212 0.003680 0.012080 -0.008974 0.004473 -0.002238 0.150536 0.343489 0.068605 0.002931 0.001131 -0.005990 0.001167 0.013200 0.018108 0.452055 0.312913 -0.150970 0.017788 0.020113 0.011737 0.503744 0.080851 0.486514 0.003993 0.001699 0.005725 -0.408977 -0.069126 -0.526259 -0.004135 0.000297 0.010698 0.004377 0.003685 0.017851 0.014219 -0.015457 -0.050727 -0.010680 0.007155 0.006942 0.005104 0.012269 0.006610 -0.406871 -0.191380 0.000583 -0.009441 -0.007458 0.010365 -0.491445 -0.228614 0.216639 0.003762 0.009564 0.006103 0.391164 0.175731 -0.133766 0.004410 0.006039 0.001414 0.004241 -0.000741 0.014007 -0.014109 -0.277068 -0.334140 0.005069 -0.001131 0.004766 -0.002925 -0.019159 0.001941 -0.031718 -0.025799 -0.215566 0.194951 -0.057527 0.180483 -0.123349 -0.061130 0.270696 0.005583 -0.064718 0.024669 -0.012067 -0.149356 -0.079944 0.001494 -0.005557 0.013574 -0.016187 0.017911 0.040922 0.017472 0.004050 0.010679 0.041878 0.151327 -0.159001 0.010503 0.015483 -0.301642 0.005727 -0.000345 0.009775 -0.137039 0.065334 0.282304 -0.003215 0.022928 0.004369 0.022483 0.058584 -0.395189 0.020650 -0.000873 -0.013011 -0.029049 0.003901 -0.355485 0.007367 -0.019892 0.008595 0.140141 0.166459 0.407607 0.009402 0.007376 0.008150 0.001101 0.000302 0.009508 0.001097 -0.001858 0.015059 -0.006147 -0.003435 0.012635 -0.004347 0.001417 0.018040 -0.003426 0.121399 -0.028434 -0.005644 0.000559 0.004341 -0.101585 0.067593 -0.717107 -0.011947 -0.006943 -0.002104 0.101547 0.019625 -0.615624 0.021001 -0.001352 0.002330 -0.084788 -0.112627 -0.009209 -0.001493 -0.012596 0.019668 0.002226 0.010955 -0.008347 0.000931 0.000919 -0.000755 0.007466 -0.004195 -0.004735 0.007142 -0.002939 0.003445 -0.046959 0.003736 -0.004152 -0.163151 -0.158018 -0.091240 0.015172 -0.002783 -0.000867 0.005208 0.002061 0.000527 -0.002101 -0.002271 0.007390 0.064622 -0.147233 -0.132918 0.156546 -0.244170 -0.312443 0.001305 -0.017561 -0.003085 -0.002462 -0.106257 1.043766 -0.002227 0.000640 -0.015299 -0.005005 -0.022105 0.041230 0.016333 -0.001337 -0.022089 0.031206 0.004390 0.303225 -0.149627 0.037340 0.006177 -0.016958 -0.021254 0.005039 0.012121 -0.007937 0.008104 -0.173314 0.170738 0.120775 -0.008370 0.004466 0.008965 0.021748 0.272774 0.783858 0.040659 0.003001 -0.001509 0.009833 -0.143377 0.130729 -0.024003 0.008519 0.019187 0.004747 0.007024 -0.010979 0.149339 0.344958 0.069432 0.005390 0.005119 -0.002939 -0.004881 0.011758 0.015798 0.449403 0.303782 -0.142218 0.006416 0.012224 0.002112 0.498012 0.080602 0.491799 0.005990 -0.005844 0.013234 -0.408612 -0.069236 -0.533842 -0.010944 -0.000177 0.015596 -0.005954 0.003520 0.013050 0.014987 -0.019560 -0.050673 -0.015123 0.011052 0.002511 0.018288 0.004465 0.005180 -0.403958 -0.188095 0.005262 -0.014471 -0.002869 0.003641 -0.484589 -0.221978 0.221225 0.003693 0.008955 -0.002867 0.390187 0.175588 -0.131181 0.005066 0.013648 -0.000396 -0.019745 -0.001487 0.022995 -0.014804 -0.278406 -0.335285 0.009969 -0.009752 -0.001555 -0.007140 -0.023636 -0.005964 -0.013577 0.002194 0.249670 0.194870 -0.057571 0.182650 -0.124164 -0.061913 0.270586 0.005843 -0.064700 0.025794 -0.012983 -0.148729 -0.077955 -0.003301 -0.006095 0.006978 0.033211 0.015960 0.030117 0.016022 0.003409 0.009696 0.040837 0.150396 -0.157001 0.010584 0.015248 -0.300840 0.010372 -0.000785 0.003727 -0.137380 0.064214 0.282442 -0.006810 0.020275 0.004726 0.022398 0.058601 -0.394246 0.013375 -0.000444 -0.008261 -0.027856 0.005058 -0.354729 0.004929 -0.016744 0.010162 0.140206 0.165526 0.407028 0.008673 -0.001092 0.007269 0.000615 -0.002321 0.009943 -0.001311 -0.001612 0.015440 -0.006488 -0.003523 0.013149 -0.000757 0.003460 0.020100 -0.002617 0.120288 -0.027484 -0.003969 -0.004634 0.003759 -0.102493 0.067302 -0.716583 -0.013220 0.001082 -0.004199 0.101947 0.019277 -0.615258 0.016264 -0.002830 0.004294 -0.084956 -0.112945 -0.008085 0.002548 -0.013900 0.019042 0.005107 0.006126 -0.009556 -0.002023 0.008917 -0.001186 0.008178 0.000381 -0.003002 0.003783 0.000224 0.004769 -0.039710 0.004556 0.002381 -0.163475 -0.157924 -0.090433 0.012586 -0.003024 -0.004135 0.008048 0.000768 0.000273 0.000916 -0.002545 0.003864 0.064764 -0.146550 -0.133580 0.156993 -0.242236 -0.312650 -0.003508 -0.019002 -0.001935 -0.000220 -0.106266 1.041523 -0.022970 -0.000923 -0.013276 -0.005350 -0.021824 0.040170 0.014887 -0.000262 -0.021492 0.005125 -0.025088 -0.166814 -0.149317 0.036419 0.005907 -0.015042 -0.018350 0.004770 0.013030 -0.008157 0.010161 -0.173680 0.169951 0.121421 -0.007219 0.007511 0.005258 0.019005 0.271835 0.782085 0.032739 0.002424 0.005345 0.009791 -0.143590 0.131555 -0.018397 0.006954 0.020592 0.008245 0.006549 -0.012258 0.148998 0.343234 0.068558 0.004306 0.003945 -0.002668 -0.005713 0.010106 0.017755 0.449193 0.301978 -0.141753 0.001245 0.017937 0.003025 0.499715 0.080786 0.493465 0.004647 -0.007102 0.014879 -0.409131 -0.068763 -0.537387 -0.011365 0.000490 0.017983 -0.007538 0.005020 0.012516 0.015285 -0.018434 -0.051018 -0.013577 0.008336 0.000409 0.018405 0.007162 0.004325 -0.404021 -0.187116 0.005874 -0.013317 -0.004489 0.000315 -0.486493 -0.220438 0.221224 0.001592 0.007379 0.000981 0.390267 0.175389 -0.131564 0.004738 0.012570 -0.000344 -0.018699 -0.001195 0.023862 -0.015115 -0.276372 -0.336764 0.009531 -0.008655 0.000751 -0.006052 -0.021096 -0.006114 -0.018634 -0.005659 0.125684 0.195086 -0.057778 0.182897 -0.124086 -0.061679 0.271595 0.005865 -0.064756 0.026271 -0.012409 -0.149032 -0.077558 0.000019 -0.006933 0.010198 0.016361 0.018062 0.038383 0.016779 0.003090 0.010793 0.041454 0.150834 -0.156635 0.010749 0.015476 -0.299862 0.009077 -0.000181 0.008113 -0.137093 0.064119 0.283291 -0.005193 0.021163 0.005686 0.022833 0.058749 -0.392942 0.015643 -0.000833 -0.008298 -0.028248 0.004633 -0.353855 0.006002 -0.017791 0.011203 0.140378 0.165557 0.408326 0.008770 0.000965 0.008552 0.000882 -0.000982 0.010946 -0.000655 -0.001272 0.016531 -0.005927 -0.003546 0.013432 -0.001557 0.003703 0.018966 -0.002700 0.120611 -0.027019 -0.004170 -0.003114 0.005132 -0.102124 0.067452 -0.715729 -0.012375 -0.001439 -0.003392 0.102044 0.019445 -0.614006 0.018044 -0.002302 0.004538 -0.084708 -0.112871 -0.007444 0.001213 -0.014326 0.018488 0.004051 0.007646 -0.007544 -0.000988 0.006502 0.000769 0.008046 -0.001184 -0.002138 0.004764 -0.001071 0.005375 -0.040746 0.004340 0.001589 -0.163166 -0.157928 -0.089715 0.013477 -0.002769 -0.002346 0.007504 0.001689 0.001452 -0.000373 -0.002286 0.006263 0.065099 -0.146683 -0.132373 0.157049 -0.241955 -0.312503 -0.003214 -0.012528 -0.004201 -0.000649 -0.106286 1.041349 -0.012958 0.000719 -0.014649 -0.003440 -0.021659 0.041200 0.014758 0.000017 -0.021040 0.011532 -0.018725 -0.066534 -0.149291 0.034452 0.006785 -0.015939 -0.016589 0.003369 0.014859 -0.004407 0.008945 -0.173288 0.170719 0.121819 -0.008289 0.005396 0.003807 0.019827 0.270249 0.781706 0.028391 0.002562 0.003252 0.008387 -0.143560 0.130964 -0.017603 0.006686 0.018445 0.004276 0.005590 -0.004107 0.149425 0.343400 0.069536 0.004132 0.004353 -0.002103 -0.005363 0.007777 0.014148 0.448421 0.301951 -0.141827 0.001944 0.010009 0.000514 0.498914 0.080627 0.493643 0.003792 -0.007866 0.013368 -0.408745 -0.069018 -0.535755 -0.011322 0.000134 0.015822 -0.006776 0.005116 0.009041 0.015360 -0.016384 -0.050131 -0.012701 0.007777 -0.000500 0.019992 0.003200 0.002014 -0.402756 -0.187873 0.006432 -0.014238 -0.002382 -0.000511 -0.485199 -0.219119 0.221327 0.001493 0.006480 -0.003821 0.390483 0.175567 -0.130972 0.004154 0.012721 -0.000027 -0.021938 -0.000995 0.022619 -0.014835 -0.276383 -0.334362 0.009084 -0.009361 -0.004578 -0.006715 -0.018032 -0.006096 -0.016245 -0.004516 0.130139 0.195223 -0.057580 0.183132 -0.124120 -0.062095 0.270470 0.005989 -0.064379 0.026063 -0.012899 -0.149169 -0.076961 -0.003014 -0.003409 0.003523 0.035781 0.008350 0.023879 0.008107 0.001016 0.010762 0.040734 0.150855 -0.156399 0.010268 0.015587 -0.300171 0.007046 -0.001957 0.000012 -0.137144 0.064805 0.281893 -0.006090 0.013790 0.004150 0.022965 0.058840 -0.392784 0.007790 0.000293 -0.005745 -0.028495 0.004362 -0.354631 0.004115 -0.010161 0.009584 0.140204 0.165794 0.407508 0.007258 -0.002827 0.005586 -0.000007 -0.000965 0.008902 -0.000873 -0.000988 0.015079 -0.004207 -0.003305 0.012292 0.000874 0.003955 0.018550 -0.002291 0.120140 -0.027103 -0.001497 -0.004242 0.002222 -0.102681 0.067319 -0.716177 -0.010671 0.002453 -0.003860 0.102181 0.019415 -0.615437 0.013645 -0.002224 0.002519 -0.084747 -0.112731 -0.007949 0.002509 -0.011785 0.017480 0.005999 0.002143 -0.007244 -0.002451 0.008386 -0.001243 0.007262 0.003008 -0.000815 0.000699 0.001133 0.004126 -0.029573 0.005556 0.001174 -0.163295 -0.157799 -0.090494 0.009425 -0.002592 -0.004795 0.006265 0.001182 0.003792 0.004061 -0.002670 0.003988 0.064920 -0.146567 -0.133389 0.157192 -0.238027 -0.313022 -0.003838 -0.017157 -0.001546 0.000249 -0.106289 1.041313 -0.024803 0.000089 -0.012070 -0.003430 -0.021682 0.040223 0.013837 -0.000096 -0.020999 0.005447 -0.017063 -0.049976 -0.149386 0.035586 0.006150 -0.014313 -0.016815 0.003208 0.011338 -0.007145 0.011353 -0.173473 0.171153 0.122090 -0.007687 0.009310 0.005418 0.018831 0.270393 0.783341 0.035944 0.002525 0.006904 0.008039 -0.143691 0.130139 -0.016434 0.005842 0.020768 0.005962 0.007315 -0.010864 0.149258 0.344349 0.068655 0.004448 0.003719 -0.002778 -0.002523 0.007838 0.019928 0.448337 0.298013 -0.141430 0.001523 0.020793 0.002238 0.496688 0.080898 0.494525 0.004709 -0.007835 0.016937 -0.409593 -0.069132 -0.536584 -0.010680 0.000749 0.015927 -0.002291 -0.000746 0.013467 0.015126 -0.017369 -0.050610 -0.012411 0.007051 -0.000581 0.020922 0.006086 0.004645 -0.403010 -0.188029 0.006134 -0.014550 -0.006285 -0.000084 -0.483103 -0.218617 0.222359 0.001422 0.006319 -0.000447 0.390489 0.175430 -0.131064 0.004339 0.011858 0.000206 -0.021607 -0.002223 0.025511 -0.014627 -0.277305 -0.335257 0.009496 -0.008841 -0.001303 -0.008861 -0.017386 -0.004452 -0.009838 -0.001920 0.162817 0.195631 -0.057390 0.186836 -0.124073 -0.062427 0.271577 0.006829 -0.063536 0.029082 -0.014334 -0.149013 -0.072036 -0.003966 0.003601 -0.003043 0.077587 -0.012408 0.004328 -0.018024 -0.004280 0.010107 0.039147 0.150212 -0.152610 0.010038 0.015335 -0.294757 0.003045 -0.002417 -0.000849 -0.137603 0.063811 0.283414 -0.010254 -0.009748 0.002020 0.023085 0.058553 -0.390817 -0.016408 0.003374 0.004835 -0.026582 0.005611 -0.353943 -0.001463 0.013099 0.008605 0.140450 0.165082 0.407456 0.001601 -0.014497 0.001568 -0.001632 -0.001756 0.005646 -0.000657 0.000151 0.011142 0.001332 -0.002661 0.011236 0.006390 0.003788 0.015110 -0.001168 0.118690 -0.023318 0.004537 -0.007533 -0.000829 -0.103409 0.067102 -0.714641 -0.007250 0.013903 -0.003934 0.102199 0.019199 -0.615420 0.003683 -0.002211 -0.000681 -0.084609 -0.113062 -0.004102 0.007292 -0.010927 0.012675 0.009612 -0.012008 -0.004013 -0.006861 0.013268 -0.002813 0.006170 0.014762 0.006643 -0.009046 0.008250 0.004109 0.008838 0.006742 0.000768 -0.163860 -0.157720 -0.088875 -0.003502 -0.002882 -0.009651 0.006097 0.001362 0.014699 0.013968 -0.003288 -0.000695 0.064501 -0.145906 -0.133729 0.157798 -0.230786 -0.316517 -0.008650 -0.007452 0.006673 0.012163 -0.105947 1.035347 -0.038092 0.002777 0.001968 -0.004197 -0.021686 0.039398 -0.000363 0.000908 -0.008599 -0.015438 -0.020124 -0.098117 -0.148230 0.038619 0.005701 0.004834 0.005775 -0.002946 0.007900 -0.008748 0.008394 -0.174405 0.166705 0.127043 0.004262 0.008640 -0.000377 0.006720 0.272341 0.788072 0.012552 -0.000656 0.012156 0.009161 -0.143379 0.134195 0.009631 0.001394 0.013817 0.001985 0.003056 -0.009116 0.147946 0.343528 0.068257 -0.004474 -0.002047 0.001751 0.002129 -0.002425 0.014525 0.450148 0.290817 -0.144450 -0.006752 0.024825 0.008253 0.498031 0.080406 0.499609 0.000186 -0.005298 0.011850 -0.408856 -0.068472 -0.542423 -0.003510 -0.001690 0.012461 0.000861 0.004013 0.012234 0.016106 -0.020319 -0.051214 0.003288 -0.006037 -0.004347 0.015536 0.005821 0.004309 -0.405521 -0.181942 0.012367 -0.001773 -0.004543 -0.003236 -0.484339 -0.220359 0.224556 -0.002805 -0.001486 0.003475 0.390010 0.174693 -0.130991 0.001516 -0.000819 0.001597 -0.010071 -0.001189 0.018130 -0.015519 -0.276255 -0.338796 -0.002016 -0.001705 0.006821 -0.005244 0.000740 -0.005747 0.001403 0.002700 0.225157 0.198008 -0.057139 0.192625 -0.123172 -0.064272 0.272328 0.008533 -0.062095 0.034119 -0.014669 -0.151610 -0.063020 -0.005402 0.015624 -0.013364 0.167705 -0.057798 -0.037345 -0.067796 -0.014559 0.009079 0.037522 0.151560 -0.145709 0.010051 0.015280 -0.285906 -0.007073 -0.005191 -0.000137 -0.135522 0.065308 0.282847 -0.013936 -0.053962 0.000211 0.025223 0.058582 -0.386689 -0.066280 0.007337 0.027905 -0.025336 0.004400 -0.352592 -0.013606 0.059997 0.007555 0.138518 0.166546 0.407462 -0.012015 -0.038240 -0.006185 -0.005524 -0.002320 -0.001886 -0.001637 0.002232 0.002948 0.012884 -0.001895 0.008666 0.018473 0.005398 0.009155 0.000624 0.117988 -0.018275 0.018777 -0.012871 -0.008398 -0.104553 0.066565 -0.710730 0.003072 0.033684 -0.004181 0.102360 0.018707 -0.616962 -0.016386 -0.002001 -0.007481 -0.083679 -0.113216 0.002649 0.015440 -0.007223 0.003969 0.017782 -0.039145 0.004316 -0.019565 0.026040 -0.004848 0.002423 0.038110 0.021539 -0.027022 0.019586 0.002670 0.083431 0.009656 0.004484 -0.165869 -0.157735 -0.089129 -0.029476 -0.002065 -0.020192 0.005281 0.000434 0.037524 0.035001 -0.005728 -0.008825 0.063792 -0.147221 -0.133834 0.158902 -0.208094 -0.323089 -0.020352 0.021717 0.017505 0.031689 -0.105827 1.023497 -0.059918 0.009593 0.026797 -0.010100 -0.021901 0.038057 -0.022617 0.001011 0.000044 -0.055768 -0.024668 -0.188307 -0.147086 0.048576 0.005210 0.033191 0.045274 -0.014244 -0.001475 -0.010941 0.008538 -0.175878 0.163003 0.134917 0.022125 0.000492 -0.013035 -0.014140 0.267629 0.798014 -0.035272 -0.002982 0.028086 0.016009 -0.143442 0.137044 0.057308 -0.007532 0.014387 -0.009549 -0.006255 -0.001828 0.147050 0.342069 0.067131 -0.017612 -0.012714 0.008089 0.010375 -0.025811 0.011081 0.445748 0.269403 -0.148088 -0.018297 0.029752 0.013846 0.488984 0.079341 0.510324 -0.008291 0.002002 0.006832 -0.410679 -0.068636 -0.554214 0.010861 0.000940 0.005081 0.014665 0.000442 0.010415 0.017064 -0.030111 -0.051752 0.034200 -0.031455 -0.014254 0.008573 0.012274 0.006967 -0.401847 -0.175071 0.021435 0.013481 0.002491 -0.010659 -0.474175 -0.215527 0.227263 -0.008437 -0.019237 0.009537 0.391727 0.173481 -0.126731 -0.004359 -0.022969 -0.001005 0.006055 -0.000389 0.004717 -0.015278 -0.274613 -0.337787 -0.020818 0.012149 0.008694 -0.003846 0.037083 -0.000039 -0.004819 0.000034 0.198807 0.197192 -0.057366 0.190923 -0.123667 -0.064329 0.271318 0.007644 -0.062711 0.031450 -0.013922 -0.150266 -0.067349 -0.004995 0.009163 -0.007239 0.125666 -0.035156 -0.007804 -0.043885 -0.010709 0.010099 0.038938 0.151119 -0.149169 0.010603 0.015315 -0.289920 -0.001792 -0.003833 0.000746 -0.136000 0.065825 0.282247 -0.011084 -0.033536 0.001713 0.024623 0.058885 -0.387519 -0.046922 0.005023 0.017885 -0.026320 0.005213 -0.353287 -0.007219 0.040189 0.009036 0.139153 0.165892 0.407460 -0.007142 -0.028111 -0.003662 -0.003662 -0.003147 0.001363 -0.001686 0.001574 0.008572 0.007053 -0.002227 0.009056 0.012962 0.005972 0.009730 -0.000170 0.118231 -0.020915 0.012889 -0.009961 -0.005656 -0.104080 0.066724 -0.712169 -0.000522 0.024986 -0.004934 0.102416 0.018902 -0.615907 -0.006749 -0.001968 -0.005150 -0.084119 -0.112609 -0.000830 0.010939 -0.008903 0.005740 0.014108 -0.026303 0.001211 -0.014065 0.019309 -0.004336 0.004553 0.027111 0.015774 -0.018802 0.015215 0.002841 0.050487 0.008825 0.003633 -0.164611 -0.157576 -0.088587 -0.017984 -0.002631 -0.014472 0.006428 0.000536 0.027267 0.025556 -0.004320 -0.003900 0.064318 -0.146589 -0.133567 0.158701 -0.215645 -0.318814 -0.014661 0.012061 0.011717 0.021576 -0.106306 1.029882 -0.046154 0.006126 0.016063 -0.007018 -0.021965 0.040028 -0.012528 0.000005 -0.004576 -0.036660 -0.019737 -0.159930 -0.147180 0.044250 0.006471 0.021352 0.029171 -0.010947 0.000869 -0.008110 0.007492 -0.174849 0.166726 0.131682 0.014814 -0.001518 -0.009232 -0.002881 0.267683 0.793911 -0.019391 -0.002045 0.018665 0.012694 -0.143623 0.136344 0.035007 -0.003766 0.010591 -0.005943 -0.003055 0.001038 0.147443 0.343311 0.068938 -0.010768 -0.007647 0.005140 0.007867 -0.018094 0.011971 0.448454 0.276646 -0.144950 -0.012755 0.022335 0.009175 0.493195 0.080342 0.506031 -0.006028 -0.001767 0.008134 -0.410982 -0.068658 -0.545350 0.005127 0.000586 0.004943 0.011028 -0.000551 0.011617 0.017029 -0.025532 -0.050338 0.020484 -0.019863 -0.009613 0.009068 0.008166 0.004388 -0.403591 -0.180161 0.017544 0.005474 0.002596 -0.008668 -0.478657 -0.215613 0.226844 -0.006880 -0.012001 0.004685 0.390955 0.174467 -0.126364 -0.001890 -0.013313 -0.000783 -0.001419 -0.001872 0.006643 -0.015226 -0.275533 -0.336392 -0.011827 0.005963 0.004799 -0.005158 0.024150 0.000720 -0.005481 -0.006296 0.081157 0.196902 -0.057551 0.191241 -0.124015 -0.064374 0.271379 0.007737 -0.062706 0.032121 -0.014600 -0.150381 -0.066814 -0.004716 0.009688 -0.010929 0.115437 -0.035102 -0.013247 -0.045531 -0.010936 0.010569 0.038074 0.150796 -0.148586 0.010190 0.015359 -0.287992 -0.003852 -0.003255 0.000044 -0.136579 0.064799 0.282662 -0.011492 -0.035485 0.000151 0.024454 0.058603 -0.388050 -0.046676 0.005249 0.017817 -0.026018 0.005468 -0.352559 -0.009015 0.041395 0.007405 0.139418 0.165162 0.407228 -0.007220 -0.027553 -0.004302 -0.003595 -0.002245 0.000650 -0.001089 0.000813 0.006640 0.007407 -0.002230 0.008626 0.013487 0.003640 0.009576 0.000183 0.117738 -0.020073 0.012874 -0.009227 -0.005122 -0.104508 0.066563 -0.712220 0.000706 0.023496 -0.004873 0.102462 0.018801 -0.615758 -0.007247 -0.001925 -0.004926 -0.084098 -0.112711 0.000252 0.011589 -0.007035 0.005378 0.013428 -0.028195 0.002285 -0.013400 0.018053 -0.004213 0.003570 0.027924 0.015992 -0.019300 0.015574 0.002829 0.052521 0.008609 0.001834 -0.164480 -0.157668 -0.088105 -0.018148 -0.002332 -0.014287 0.005179 0.000853 0.027409 0.027290 -0.004379 -0.003993 0.064238 -0.146121 -0.133883 0.159052 -0.215026 -0.320037 -0.013729 0.011635 0.012684 0.024300 -0.106100 1.028421 -0.044305 0.006935 0.016050 -0.005287 -0.021623 0.038803 -0.013686 -0.000038 -0.004084 -0.035630 -0.011819 -0.039651 -0.147417 0.042431 0.005813 0.023287 0.030089 -0.009879 -0.000034 -0.009800 0.007492 -0.175579 0.164302 0.132241 0.014127 0.002445 -0.008736 -0.005830 0.268208 0.793449 -0.011658 -0.000845 0.019522 0.010684 -0.143627 0.136526 0.037299 -0.004447 0.013195 -0.005276 -0.003225 -0.001601 0.147273 0.342714 0.067930 -0.011976 -0.008447 0.005374 0.007927 -0.017436 0.012433 0.448982 0.275521 -0.145757 -0.010034 0.026586 0.011081 0.494676 0.079993 0.506463 -0.005276 -0.000362 0.009029 -0.410277 -0.068788 -0.547141 0.006852 0.000680 0.005382 0.009839 -0.000474 0.011790 0.016745 -0.023829 -0.050969 0.022152 -0.020802 -0.009662 0.008313 0.009199 0.005995 -0.404683 -0.177840 0.018386 0.006244 -0.000378 -0.008040 -0.480554 -0.216284 0.226812 -0.007278 -0.012056 0.007166 0.390412 0.174086 -0.128455 -0.002678 -0.014749 0.000905 0.001038 -0.001927 0.008816 -0.015418 -0.275102 -0.338005 -0.013083 0.006800 0.006864 -0.005602 0.022521 0.000084 -0.006338 -0.016230 -0.108634 0.196378 -0.057554 0.192346 -0.124289 -0.065082 0.271080 0.008087 -0.062499 0.032947 -0.015083 -0.150097 -0.065993 -0.005009 0.010862 -0.014001 0.098078 -0.038146 -0.018249 -0.046452 -0.008857 0.010891 0.037269 0.150084 -0.147678 0.010148 0.015571 -0.285413 -0.005171 -0.003076 -0.000590 -0.136394 0.064596 0.282456 -0.009811 -0.039480 -0.001563 0.024908 0.058479 -0.388968 -0.048271 0.005682 0.017709 -0.025824 0.005643 -0.351655 -0.010942 0.043813 0.006103 0.139166 0.164716 0.406735 -0.008518 -0.026659 -0.006028 -0.003659 -0.001306 -0.000931 -0.000887 0.000213 0.003698 0.008187 -0.001945 0.006723 0.014691 0.000861 0.007165 0.000856 0.116777 -0.019288 0.014106 -0.007467 -0.006357 -0.104910 0.066319 -0.712118 0.004146 0.020923 -0.004928 0.102674 0.018633 -0.615670 -0.008327 -0.001667 -0.005021 -0.084004 -0.112378 0.001593 0.012683 -0.004350 0.002789 0.012384 -0.031281 0.004403 -0.013202 0.016399 -0.004720 0.000780 0.028537 0.015932 -0.019759 0.016623 0.002124 0.057525 0.008678 -0.002740 -0.164102 -0.157552 -0.087545 -0.019902 -0.001874 -0.013950 0.002827 0.001528 0.026737 0.030102 -0.003233 -0.004264 0.064307 -0.145503 -0.134266 0.159474 -0.211438 -0.320758 -0.013621 0.008194 0.014911 0.027584 -0.105867 1.028126 -0.044975 0.007102 0.018514 -0.005101 -0.021444 0.038498 -0.016182 0.001052 -0.003532 -0.035009 -0.003733 0.151712 -0.147064 0.042898 0.005635 0.024008 0.031893 -0.010044 -0.001657 -0.010990 0.009284 -0.175700 0.163770 0.133195 0.015864 0.006060 -0.007553 -0.008880 0.266402 0.793908 -0.001736 0.000382 0.020796 0.010499 -0.143891 0.137002 0.041248 -0.005310 0.014915 -0.005578 -0.003562 -0.003153 0.146940 0.343028 0.067765 -0.012651 -0.009053 0.005696 0.009088 -0.019040 0.013957 0.447431 0.271609 -0.145554 -0.006626 0.031482 0.012135 0.495372 0.079975 0.507900 -0.006269 0.001561 0.010114 -0.410549 -0.068415 -0.547266 0.008129 0.001857 0.004251 0.012696 -0.000967 0.011999 0.017077 -0.024219 -0.051293 0.024573 -0.022345 -0.009793 0.008817 0.011911 0.007182 -0.403295 -0.177032 0.019624 0.006189 -0.004035 -0.008155 -0.481455 -0.213945 0.227996 -0.007933 -0.013605 0.007636 0.390482 0.173947 -0.128498 -0.003076 -0.017133 0.000935 -0.000758 -0.001955 0.009979 -0.015707 -0.275329 -0.337435 -0.014132 0.007967 0.006492 -0.005967 0.023519 0.002015 -0.005355 -0.015549 -0.100989 0.196425 -0.057395 0.193061 -0.124111 -0.065865 0.270169 0.008033 -0.062480 0.033288 -0.014474 -0.149778 -0.066911 -0.004215 0.009162 -0.014047 0.061585 -0.029839 -0.014404 -0.039051 -0.006815 0.008638 0.037494 0.149749 -0.148121 0.011189 0.015586 -0.282994 -0.005534 -0.002247 0.000247 -0.136861 0.065163 0.281852 -0.010054 -0.035943 -0.001723 0.024230 0.057992 -0.391341 -0.043982 0.005105 0.014313 -0.026327 0.005588 -0.350557 -0.011678 0.040144 0.005798 0.139720 0.164753 0.406486 -0.009600 -0.021262 -0.004470 -0.002181 -0.001945 -0.002892 -0.000072 -0.001798 0.002669 0.006579 -0.001721 0.005528 0.013522 -0.001433 0.006709 0.000941 0.116697 -0.018555 0.012572 -0.004488 -0.005401 -0.105222 0.066171 -0.712377 0.006461 0.014174 -0.005578 0.102900 0.018497 -0.616471 -0.005657 -0.001497 -0.003826 -0.083779 -0.111950 0.002696 0.012226 -0.002376 0.001395 0.008570 -0.027707 0.005682 -0.010390 0.010641 -0.004197 -0.001339 0.025193 0.013459 -0.016684 0.015848 0.000020 0.054504 0.008679 -0.003844 -0.164067 -0.157553 -0.087950 -0.017926 -0.001078 -0.010214 0.000572 0.001830 0.024196 0.028473 -0.001784 -0.001693 0.064204 -0.145625 -0.134780 0.159873 -0.207692 -0.321132 -0.011147 0.006371 0.015628 0.029766 -0.105739 1.027580 -0.036138 0.007581 0.018437 -0.004813 -0.021341 0.037676 -0.015663 0.000140 -0.008728 -0.037188 -0.005681 0.152453 -0.147084 0.043623 0.005097 0.026058 0.033922 -0.010377 -0.002825 -0.013464 0.008405 -0.176121 0.162745 0.133616 0.016296 0.004017 -0.007915 -0.011130 0.268539 0.794364 0.006871 -0.000987 0.019847 0.010318 -0.143812 0.137090 0.043429 -0.006069 0.017567 -0.003457 -0.003915 -0.008864 0.146968 0.342796 0.066893 -0.012907 -0.009487 0.005325 0.009636 -0.017234 0.015676 0.450522 0.267917 -0.144646 -0.004522 0.030602 0.013649 0.494135 0.079823 0.508835 -0.006202 0.002862 0.012483 -0.410584 -0.068630 -0.547851 0.008328 0.003669 0.002328 0.007643 -0.000216 0.012408 0.016972 -0.024845 -0.051548 0.025475 -0.023484 -0.009751 0.007793 0.013987 0.008190 -0.406088 -0.175886 0.020582 0.007375 -0.003720 -0.008274 -0.479838 -0.215987 0.226996 -0.007051 -0.012298 0.011862 0.390393 0.173703 -0.128456 -0.004047 -0.017553 0.000892 0.002290 -0.001495 0.011354 -0.015343 -0.275053 -0.340622 -0.014276 0.009288 0.010097 -0.005358 0.020162 -0.000039 -0.001767 -0.012883 -0.075307 0.196008 -0.056883 0.196237 -0.124081 -0.066842 0.270567 0.007909 -0.062175 0.036037 -0.013804 -0.148598 -0.066805 -0.002554 0.003564 -0.017734 -0.043656 -0.000464 -0.008540 -0.020860 -0.004756 0.009772 0.037318 0.148717 -0.146719 0.012409 0.015986 -0.271707 -0.007175 0.000221 0.004422 -0.136918 0.065698 0.282974 -0.005832 -0.025833 -0.001506 0.023853 0.057266 -0.397849 -0.026859 0.004944 0.005505 -0.026697 0.006502 -0.345554 -0.010637 0.026283 0.004823 0.139631 0.164202 0.406924 -0.009549 -0.005097 -0.001531 0.001337 -0.001707 -0.003941 0.000789 -0.006162 0.002090 0.001146 -0.001552 0.001483 0.011283 -0.006963 0.006111 0.001274 0.116005 -0.015597 0.008441 0.002618 -0.001525 -0.105718 0.066075 -0.711237 0.012627 -0.002543 -0.003872 0.103095 0.018335 -0.615415 0.000383 -0.000052 0.000528 -0.083451 -0.110759 0.008552 0.011951 0.003231 -0.001807 0.000404 -0.018581 0.011537 -0.002431 -0.006217 -0.002447 -0.005576 0.013438 0.010980 -0.007578 0.012797 -0.001006 0.044994 0.009582 -0.006155 -0.163624 -0.157194 -0.085658 -0.011617 0.000954 0.001492 -0.007358 0.003300 0.017783 0.024186 0.001674 0.006181 0.064048 -0.144550 -0.133964 0.161481 -0.200921 -0.320126 0.005657 0.003293 0.009243 0.038510 -0.104580 1.032127 0.013385 0.004108 0.012404 -0.005037 -0.020603 0.038204 -0.009344 -0.002090 -0.005696 -0.036902 -0.009749 0.123465 -0.147094 0.045692 0.005639 0.022399 0.025911 -0.006695 -0.007223 -0.007993 0.001123 -0.178268 0.157965 0.135073 0.009973 0.000658 -0.005521 -0.018391 0.266854 0.794705 0.028181 -0.004582 0.010639 0.010514 -0.143516 0.141614 0.028473 -0.006761 0.010248 -0.004149 -0.003902 -0.016741 0.146746 0.342974 0.067333 -0.008303 -0.005899 0.004620 0.006741 -0.011918 0.010709 0.450593 0.261072 -0.141448 0.007092 0.008507 0.009900 0.495529 0.079361 0.511270 -0.006358 0.006152 0.007673 -0.410759 -0.068414 -0.546521 0.012560 0.003826 -0.005237 0.006012 0.003259 0.007988 0.017318 -0.026359 -0.051119 0.020176 -0.014144 -0.004693 -0.001082 0.005233 -0.000225 -0.406048 -0.170254 0.025046 0.006363 -0.002805 -0.007033 -0.481460 -0.213665 0.228872 -0.007109 -0.005506 0.008455 0.390448 0.173666 -0.127601 -0.005498 -0.015495 0.002144 0.000495 -0.000510 0.006515 -0.015746 -0.274622 -0.341306 -0.010573 0.009264 0.009660 -0.004648 0.014909 -0.002833 0.003666 -0.008928 -0.026394 0.196209 -0.056465 0.200605 -0.123670 -0.070045 0.268608 0.007761 -0.061999 0.039767 -0.011072 -0.148116 -0.069043 0.001651 -0.005359 -0.016625 -0.273652 0.049635 0.012883 0.017695 0.004537 0.007502 0.037780 0.147713 -0.146114 0.016331 0.016634 -0.254048 -0.010915 0.005584 0.012725 -0.136716 0.067810 0.281599 0.004065 -0.006207 -0.000905 0.023075 0.055546 -0.410639 0.000708 0.001527 -0.012448 -0.028414 0.005870 -0.337266 -0.009899 -0.000977 0.003144 0.139767 0.164205 0.406316 -0.014449 0.025357 0.004004 0.007485 -0.002446 -0.009510 0.002746 -0.015233 0.002530 -0.008897 -0.000490 -0.007016 0.006306 -0.018070 0.002359 0.002289 0.115613 -0.011842 0.002273 0.017886 0.004299 -0.106711 0.065344 -0.710549 0.028767 -0.037865 -0.003096 0.103674 0.017654 -0.617012 0.012492 0.001392 0.008492 -0.082467 -0.108201 0.018763 0.011297 0.013636 -0.009313 -0.021316 0.001759 0.021790 0.012179 -0.038042 0.001795 -0.014056 -0.008617 0.004169 0.010073 0.006176 -0.006610 0.026518 0.006037 -0.013200 -0.163934 -0.156987 -0.085227 0.000558 0.002522 0.025500 -0.023077 0.005942 0.001922 0.017761 0.007606 0.021798 0.063890 -0.144603 -0.134031 0.163822 -0.183278 -0.319169 0.031739 -0.002297 0.002173 0.051911 -0.102957 1.037831 0.105266 0.000692 0.000937 -0.002004 -0.019872 0.037594 0.001911 -0.004822 -0.015417 -0.036434 -0.005348 0.064918 -0.146860 0.048749 0.005408 0.013119 0.012752 0.002807 -0.016349 -0.004736 -0.005922 -0.181092 0.152747 0.136440 0.001172 -0.007471 -0.001893 -0.031057 0.263114 0.797684 0.077454 -0.006682 -0.000295 0.007630 -0.143676 0.145712 0.005921 -0.007910 0.013639 0.001885 -0.003728 -0.038347 0.146735 0.344344 0.066175 0.000999 0.000690 0.002270 0.004442 -0.000705 0.005802 0.451198 0.243080 -0.134636 0.035712 -0.024486 0.005884 0.492490 0.078011 0.515725 -0.002993 0.009731 0.003249 -0.412080 -0.068617 -0.548170 0.017116 0.010046 -0.008718 0.000095 0.004213 0.004035 0.017588 -0.028973 -0.051303 0.008350 -0.000328 0.005550 -0.014516 0.002443 -0.007318 -0.405390 -0.164085 0.030800 0.004255 -0.004021 -0.003893 -0.477660 -0.209627 0.229853 -0.005315 0.007160 0.008851 0.391433 0.173052 -0.124059 -0.007405 -0.011192 -0.001669 -0.001433 0.001094 0.006351 -0.014905 -0.275711 -0.343625 -0.001088 0.010437 0.009574 -0.003429 0.000833 -0.004513 0.000297 -0.011315 -0.049784 0.196353 -0.056787 0.199520 -0.124138 -0.068833 0.269318 0.007807 -0.061950 0.037909 -0.012148 -0.148074 -0.067631 -0.000042 0.000051 -0.016943 -0.153463 0.022288 0.015141 -0.001818 0.000564 0.008076 0.037938 0.148248 -0.146268 0.014717 0.016272 -0.262459 -0.009180 0.002304 0.009578 -0.136557 0.066878 0.282182 -0.000460 -0.016499 -0.000710 0.023867 0.056744 -0.401695 -0.017244 0.003216 -0.002194 -0.027305 0.007322 -0.341241 -0.010235 0.013959 0.005061 0.139729 0.163380 0.406612 -0.013481 0.009090 0.001923 0.005093 -0.003381 -0.006487 0.001782 -0.009727 0.003639 -0.003496 -0.000975 -0.002880 0.009070 -0.011730 0.002137 0.002024 0.115539 -0.013805 0.006173 0.009535 0.000908 -0.106347 0.065660 -0.710728 0.021234 -0.019734 -0.003875 0.103469 0.018011 -0.615663 0.005382 0.000535 0.004199 -0.082819 -0.108981 0.014252 0.011505 0.008154 -0.007195 -0.009821 -0.009548 0.016474 0.004155 -0.020912 -0.000230 -0.008676 0.003846 0.009398 0.000868 0.009928 -0.004414 0.036311 0.007908 -0.009880 -0.163566 -0.156899 -0.084426 -0.007009 0.001958 0.012828 -0.015816 0.004932 0.009754 0.022477 0.004317 0.014422 0.064298 -0.144356 -0.133680 0.162668 -0.191314 -0.318567 0.019999 0.001736 0.002112 0.044286 -0.104138 1.036468 0.061301 0.002820 0.005618 -0.002137 -0.019990 0.038755 -0.005385 -0.004331 -0.012426 -0.036251 -0.004543 0.084077 -0.146552 0.046149 0.006365 0.015173 0.018437 -0.000904 -0.012734 -0.005090 -0.006700 -0.179328 0.156620 0.136329 0.005481 -0.005163 -0.004147 -0.023534 0.262110 0.796212 0.047898 -0.005889 0.003800 0.008092 -0.143609 0.145513 0.014193 -0.007514 0.011474 -0.002763 -0.004123 -0.022261 0.146756 0.343711 0.067764 -0.001866 -0.001967 0.004004 0.006797 -0.006374 0.002621 0.449686 0.251166 -0.136878 0.022178 -0.014293 0.007520 0.495733 0.079221 0.514263 -0.004382 0.008128 0.003636 -0.412376 -0.068504 -0.545635 0.016229 0.006306 -0.010326 0.000371 0.001143 0.001611 0.017982 -0.026344 -0.050278 0.012679 -0.005332 0.001453 -0.009197 0.002372 -0.005759 -0.403754 -0.168283 0.028383 0.004821 -0.000242 -0.005860 -0.481019 -0.208987 0.229567 -0.005711 -0.000232 0.008754 0.391316 0.173673 -0.124416 -0.005906 -0.013241 -0.001394 0.002846 0.001233 0.004362 -0.015290 -0.274722 -0.340306 -0.004922 0.010161 0.004841 -0.004304 0.008297 -0.000789 0.001213 -0.002839 0.091036 0.195150 -0.056650 0.199354 -0.124170 -0.070090 0.269090 0.006841 -0.062464 0.038530 -0.012973 -0.146649 -0.067378 -0.001733 -0.001526 -0.012747 -0.105508 0.023946 0.009252 0.007638 0.001940 0.005652 0.036874 0.146384 -0.145012 0.015833 0.016370 -0.257520 -0.005328 0.004068 0.006677 -0.136517 0.067596 0.282502 0.000871 -0.007770 -0.001755 0.023222 0.056209 -0.406930 -0.004722 0.001569 -0.000586 -0.027986 0.006075 -0.339466 -0.008123 0.003439 0.001597 0.139110 0.163278 0.406633 -0.007952 0.008000 0.002022 0.004540 -0.002089 -0.005842 -0.001483 -0.009876 0.002501 -0.006249 -0.000369 -0.002578 0.006327 -0.011263 0.004153 0.002162 0.115972 -0.013338 0.002483 0.006789 0.002656 -0.107053 0.065556 -0.711088 0.016539 -0.017095 -0.002272 0.103911 0.017870 -0.615378 0.003848 0.000325 0.006164 -0.082103 -0.109070 0.014635 0.009844 0.008920 -0.004919 -0.011151 -0.004292 0.013609 0.005332 -0.015378 -0.000073 -0.009185 -0.000444 0.007289 0.003945 0.006390 -0.002723 0.023647 0.006955 -0.002885 -0.162369 -0.156960 -0.083287 -0.004885 0.000326 0.011271 -0.014745 0.003665 0.004748 0.015450 0.004290 0.010553 0.063889 -0.143591 -0.133800 0.163316 -0.187696 -0.319039 0.017708 0.003765 0.002764 0.047345 -0.103316 1.036111 0.040982 0.003190 0.003116 -0.005036 -0.019608 0.037232 -0.003187 -0.003655 -0.011905 -0.035664 -0.015013 -0.049486 -0.147496 0.047316 0.005025 0.012214 0.014549 -0.000739 -0.011375 -0.003422 -0.002863 -0.179733 0.152828 0.135258 0.005195 -0.001806 -0.001673 -0.026824 0.262613 0.793911 0.035410 -0.006458 0.003949 0.010230 -0.143786 0.145472 0.011126 -0.005261 0.010425 0.003935 -0.002953 -0.030127 0.146986 0.342800 0.066192 -0.000045 -0.001184 0.002533 0.006320 -0.003660 0.004771 0.449309 0.247003 -0.137023 0.016458 -0.010953 0.007254 0.496766 0.078869 0.513117 -0.004475 0.006241 0.004965 -0.412939 -0.068872 -0.542087 0.014664 0.006005 -0.012264 0.000965 0.002630 0.004337 0.017028 -0.027943 -0.051932 0.008803 -0.003432 0.001128 -0.010538 0.000442 -0.003187 -0.403784 -0.165252 0.028296 0.006473 -0.005535 -0.004340 -0.483027 -0.208943 0.229160 -0.004902 0.001417 0.008197 0.391490 0.173233 -0.127075 -0.006592 -0.009517 0.001086 -0.001240 0.000118 0.007135 -0.015118 -0.274238 -0.342753 -0.002311 0.008094 0.007298 -0.002869 0.003872 -0.002585 0.001251 -0.000647 0.127390 0.195063 -0.056359 0.200190 -0.124102 -0.070376 0.268765 0.006401 -0.062364 0.038563 -0.012778 -0.146047 -0.067525 -0.001632 -0.001693 -0.011953 -0.091336 0.022383 0.008574 0.010414 0.002408 0.003130 0.036918 0.145896 -0.144895 0.016602 0.016202 -0.256694 -0.004936 0.004444 0.005388 -0.136711 0.068066 0.282212 0.000924 -0.006217 -0.001220 0.022628 0.056025 -0.407929 -0.005318 0.001482 0.000155 -0.028064 0.006003 -0.339455 -0.007834 0.001664 0.001444 0.139107 0.163446 0.406392 -0.008183 0.007626 0.001858 0.004600 -0.003205 -0.006749 -0.002570 -0.009583 0.002210 -0.007001 -0.000092 -0.002907 0.005542 -0.010810 0.003822 0.002106 0.116048 -0.013213 0.001641 0.005746 0.002633 -0.107292 0.065422 -0.711139 0.015607 -0.016089 -0.002350 0.103799 0.017730 -0.615974 0.002679 0.000246 0.005958 -0.081976 -0.108830 0.015307 0.009165 0.009246 -0.005121 -0.011472 -0.002992 0.013000 0.005154 -0.014019 -0.000152 -0.009179 -0.001320 0.006775 0.004672 0.005922 -0.002966 0.020536 0.006618 -0.001384 -0.162867 -0.156905 -0.083510 -0.005050 0.000124 0.010715 -0.014037 0.003385 0.002422 0.013654 0.004099 0.008805 0.063709 -0.143722 -0.134033 0.162997 -0.186211 -0.318213 0.018200 0.003896 0.003257 0.048076 -0.103272 1.037415 0.037404 0.002934 0.003002 -0.005285 -0.020001 0.037594 -0.001419 -0.003554 -0.016319 -0.035094 -0.017622 -0.083060 -0.147262 0.049246 0.005294 0.010980 0.014198 -0.000625 -0.011652 -0.003995 -0.002876 -0.179705 0.153088 0.135707 0.005745 -0.004227 -0.001930 -0.028096 0.262571 0.796139 0.032011 -0.005903 0.004558 0.010301 -0.143794 0.146875 0.011325 -0.004793 0.013418 0.005928 -0.003491 -0.034974 0.146538 0.343713 0.066674 0.000348 -0.000797 0.002109 0.005809 -0.002208 0.005680 0.449086 0.245611 -0.135974 0.016647 -0.010150 0.007493 0.495524 0.079040 0.514135 -0.004188 0.005843 0.005304 -0.413197 -0.068337 -0.542096 0.014718 0.004994 -0.012208 -0.001228 0.002478 0.004169 0.016974 -0.029731 -0.051689 0.007902 -0.003287 0.001097 -0.010930 0.001036 -0.003056 -0.403607 -0.165385 0.028951 0.006656 -0.002908 -0.004762 -0.481835 -0.208571 0.229250 -0.005243 0.001159 0.008676 0.391429 0.173187 -0.125068 -0.006543 -0.008605 -0.000323 -0.000341 0.000021 0.007253 -0.015122 -0.275110 -0.342649 -0.001324 0.008273 0.007999 -0.002364 0.001704 -0.002767 0.001489 0.003694 0.201722 0.194486 -0.056394 0.201071 -0.124423 -0.071184 0.268164 0.005679 -0.062423 0.038647 -0.013051 -0.145015 -0.067625 -0.001580 -0.002152 -0.010306 -0.064341 0.020667 0.015200 0.014485 0.003966 0.001049 0.036608 0.144916 -0.144450 0.017541 0.016049 -0.254387 -0.003840 0.005103 0.003566 -0.137125 0.068231 0.282149 0.001867 -0.002993 -0.001311 0.021993 0.055750 -0.409096 -0.001909 0.000733 0.001380 -0.028138 0.006394 -0.338745 -0.006536 -0.003067 0.000131 0.139252 0.162717 0.406148 -0.007194 0.006742 0.002017 0.004520 -0.003900 -0.007405 -0.004293 -0.009484 0.001271 -0.008605 0.000308 -0.003160 0.004142 -0.010516 0.004082 0.002257 0.116077 -0.012940 0.000466 0.004265 0.003517 -0.107779 0.065296 -0.711388 0.013661 -0.014496 -0.001727 0.103931 0.017572 -0.615683 0.001442 0.000106 0.006297 -0.081704 -0.108513 0.015929 0.008429 0.009390 -0.004576 -0.011919 0.000267 0.011644 0.005340 -0.011264 -0.000186 -0.008702 -0.004167 0.004669 0.006053 0.004652 -0.002836 0.014224 0.005368 0.001250 -0.162546 -0.156877 -0.082721 -0.004664 -0.000362 0.009544 -0.013402 0.002735 -0.000365 0.010415 0.004399 0.006181 0.063639 -0.143232 -0.134312 0.163408 -0.184753 -0.317905 0.017418 0.004976 0.002895 0.049076 -0.102960 1.038081 0.028652 0.002285 0.002469 -0.005095 -0.019613 0.037331 -0.000307 -0.003452 -0.022578 -0.032931 -0.021046 -0.155033 -0.147326 0.048791 0.005103 0.008404 0.012457 -0.000586 -0.011738 -0.002381 -0.002599 -0.179924 0.151693 0.135675 0.005811 -0.005020 -0.001186 -0.029325 0.262803 0.795404 0.023809 -0.006135 0.005528 0.009782 -0.143847 0.148208 0.010664 -0.005399 0.015176 0.009206 -0.002498 -0.040457 0.146368 0.343632 0.066396 0.001306 -0.000481 0.001277 0.005184 -0.001841 0.005774 0.449597 0.243688 -0.135088 0.014857 -0.010205 0.007979 0.496905 0.079066 0.514104 -0.003867 0.005194 0.006421 -0.413960 -0.068495 -0.540437 0.014585 0.005123 -0.013147 -0.001246 0.003957 0.004771 0.017045 -0.029229 -0.051977 0.005965 -0.002276 0.001146 -0.013289 0.000745 -0.001784 -0.404022 -0.164305 0.029193 0.007706 -0.002405 -0.004308 -0.483442 -0.208778 0.228659 -0.005473 0.002006 0.008138 0.391567 0.173202 -0.125217 -0.006443 -0.006752 -0.000344 -0.002644 -0.000499 0.008699 -0.015366 -0.274884 -0.343961 -0.000116 0.007719 0.009602 -0.000968 0.000560 -0.003829 -0.000587 0.000572 0.141908 0.193883 -0.056195 0.201023 -0.124605 -0.071405 0.268548 0.004847 -0.062727 0.039222 -0.013638 -0.143778 -0.066778 -0.001631 -0.002039 -0.007178 -0.019748 0.016654 0.010918 0.017536 0.003210 -0.000978 0.035852 0.143657 -0.142969 0.018572 0.016177 -0.250153 -0.002212 0.005639 0.002155 -0.137162 0.067975 0.282554 0.002493 0.003519 -0.002962 0.021584 0.055606 -0.413267 0.007465 -0.000371 0.003058 -0.028035 0.005527 -0.337872 -0.004599 -0.009671 -0.003295 0.138949 0.162553 0.405937 -0.001368 0.004324 0.001341 0.003857 -0.002363 -0.006066 -0.007021 -0.008395 -0.000485 -0.009883 0.000878 -0.002962 0.002043 -0.010160 0.003357 0.002585 0.116587 -0.012454 -0.001868 0.001381 0.004019 -0.108034 0.065245 -0.711689 0.008990 -0.010182 -0.000680 0.103966 0.017439 -0.614871 -0.000943 -0.000054 0.007070 -0.081194 -0.108517 0.017063 0.006685 0.009216 -0.003924 -0.011794 0.003753 0.008622 0.005521 -0.004444 -0.001439 -0.007768 -0.006114 0.003827 0.007023 0.001582 -0.001634 0.001492 0.003782 0.005809 -0.162174 -0.156847 -0.081871 -0.002828 -0.001376 0.005851 -0.011261 0.001544 -0.003722 0.003756 0.004342 0.002481 0.063438 -0.142784 -0.134191 0.163544 -0.183854 -0.317047 0.014705 0.005739 0.002171 0.050247 -0.102604 1.039787 0.009047 0.001864 0.001117 -0.006224 -0.019544 0.037252 0.000382 -0.003382 -0.014290 -0.026311 -0.020734 -0.102897 -0.147545 0.049394 0.004810 0.004389 0.010036 -0.000309 -0.012622 -0.001931 -0.001441 -0.179914 0.151086 0.135170 0.006002 0.001425 0.001264 -0.030819 0.261753 0.794359 0.012662 -0.004858 0.006928 0.010542 -0.144030 0.147755 0.007959 -0.005234 0.012984 0.014575 -0.001792 -0.044546 0.146229 0.343649 0.066282 0.003886 -0.000703 0.001054 0.005685 0.001237 0.006585 0.448838 0.242592 -0.134315 0.012029 -0.006624 0.008171 0.498001 0.079146 0.514040 -0.004973 0.002995 0.008404 -0.414067 -0.068218 -0.540235 0.014301 0.005240 -0.010918 -0.002691 0.004583 0.005283 0.016850 -0.029934 -0.052203 0.003885 -0.001479 0.000660 -0.013362 0.001058 -0.001052 -0.403377 -0.164115 0.029529 0.008361 -0.008291 -0.002074 -0.485051 -0.207434 0.228913 -0.005273 0.000813 0.008481 0.391533 0.173226 -0.126132 -0.006582 -0.004111 0.000166 -0.002834 0.000542 0.011205 -0.015664 -0.274962 -0.344097 0.001619 0.006851 0.009584 -0.000146 -0.003134 -0.003721 -0.004121 -0.004801 0.015914 0.193886 -0.055644 0.202275 -0.123975 -0.072126 0.268958 0.003293 -0.062970 0.040335 -0.013674 -0.141666 -0.065105 0.000113 -0.001555 0.001143 0.073614 0.003029 0.010302 0.024387 0.002180 -0.004443 0.035582 0.142066 -0.140222 0.021350 0.016169 -0.240978 0.002620 0.006522 -0.000674 -0.136901 0.068766 0.283707 0.004726 0.014107 -0.003423 0.020673 0.055209 -0.420561 0.020331 -0.001582 0.008214 -0.027330 0.004564 -0.335908 0.000187 -0.019856 -0.006955 0.138978 0.162699 0.406188 0.007270 -0.000999 0.000552 0.003530 -0.001911 -0.004812 -0.011853 -0.005824 -0.004379 -0.011985 0.002082 -0.002093 -0.001250 -0.008413 0.002296 0.003266 0.118071 -0.010697 -0.004118 -0.004790 0.006199 -0.108183 0.065338 -0.711390 0.000978 -0.001359 0.002398 0.104409 0.017419 -0.614726 -0.004445 -0.000835 0.008041 -0.079586 -0.108403 0.020027 0.003555 0.009871 -0.002026 -0.010177 0.013327 0.005073 0.005175 0.007596 -0.002925 -0.004532 -0.010310 0.003669 0.009226 -0.006288 -0.001211 -0.023756 0.003930 0.014616 -0.161831 -0.156666 -0.080251 -0.001110 -0.002658 -0.000140 -0.005968 -0.001562 -0.011138 -0.008378 0.003769 -0.005390 0.063305 -0.142310 -0.133772 0.164312 -0.180522 -0.315410 0.001816 0.012052 -0.002324 0.056609 -0.101510 1.042143 -0.027121 -0.000425 -0.004514 -0.006777 -0.019155 0.036635 0.004907 -0.000651 -0.003525 -0.005139 -0.014017 0.022195 -0.147347 0.051534 0.004154 -0.007994 0.000730 0.000568 -0.010131 0.003949 0.000589 -0.179916 0.147255 0.135079 0.006237 0.001665 0.005522 -0.036546 0.261783 0.794643 -0.026291 -0.002462 0.005342 0.011128 -0.143774 0.150601 -0.003626 0.000558 0.005673 0.019649 -0.000599 -0.048774 0.146220 0.344078 0.065660 0.010080 0.000565 0.001255 0.002655 0.008895 0.002131 0.449428 0.239187 -0.132863 -0.003072 -0.009510 0.002564 0.500241 0.079304 0.514041 -0.002675 -0.000962 0.008870 -0.414277 -0.067830 -0.540134 0.008887 0.001029 -0.007252 -0.004967 0.003887 0.002023 0.017084 -0.031878 -0.052973 -0.003153 0.004205 -0.000587 -0.011667 -0.004859 0.001839 -0.403056 -0.160540 0.031129 0.008493 -0.010110 0.002792 -0.487272 -0.206830 0.229858 -0.002698 -0.000714 0.006109 0.392284 0.173087 -0.125488 -0.004589 0.003730 -0.000343 -0.003292 -0.001906 0.008063 -0.015592 -0.275185 -0.346754 0.007647 0.002568 0.010538 0.002238 -0.010809 -0.005763 -0.004030 -0.004557 0.026627 0.194433 -0.056124 0.202041 -0.124247 -0.071785 0.269139 0.003620 -0.062994 0.040051 -0.013254 -0.142649 -0.065498 0.000936 -0.001550 0.000561 0.063031 0.005015 0.013194 0.023221 0.001694 -0.002236 0.035876 0.142934 -0.140697 0.021260 0.016361 -0.241344 -0.000126 0.006982 0.002038 -0.136527 0.068098 0.283369 0.005348 0.013544 -0.003637 0.021261 0.055495 -0.419252 0.019681 -0.001443 0.008194 -0.027290 0.004422 -0.335916 0.000293 -0.019289 -0.006577 0.138848 0.162478 0.406100 0.006850 -0.000851 0.000636 0.003529 -0.001244 -0.004346 -0.011664 -0.005868 -0.003880 -0.011753 0.001669 -0.001199 -0.000718 -0.009165 0.003715 0.003287 0.118317 -0.011333 -0.002957 -0.004022 0.006316 -0.108197 0.065315 -0.711119 0.002893 -0.002673 0.002208 0.104525 0.017434 -0.614093 -0.002840 -0.000698 0.008529 -0.079665 -0.108398 0.020250 0.004574 0.009247 -0.000798 -0.010188 0.013119 0.005563 0.005664 0.006314 -0.002149 -0.005070 -0.009875 0.003940 0.009115 -0.006658 -0.001652 -0.021410 0.004097 0.014639 -0.162196 -0.156732 -0.080813 -0.001040 -0.002517 0.001255 -0.006392 -0.001265 -0.010053 -0.007347 0.004369 -0.004402 0.063543 -0.142541 -0.133731 0.164084 -0.180716 -0.315578 0.001766 0.013414 -0.004067 0.056322 -0.101598 1.041439 -0.024080 -0.000188 -0.005486 -0.004820 -0.018855 0.036796 0.005024 -0.000389 -0.004248 -0.004473 -0.013333 0.009169 -0.147391 0.049408 0.004504 -0.008954 -0.000388 0.000770 -0.009554 0.005331 0.000259 -0.179846 0.148279 0.134829 0.005192 0.003670 0.006231 -0.036457 0.259216 0.793419 -0.024678 -0.001256 0.003666 0.009468 -0.143760 0.149865 -0.004803 0.000378 0.002683 0.018389 -0.000193 -0.043202 0.146547 0.343803 0.065930 0.011156 0.000722 0.001108 0.001630 0.007542 -0.000277 0.447738 0.239597 -0.133027 -0.002532 -0.012138 0.000997 0.499721 0.079128 0.513923 -0.002732 -0.001384 0.007779 -0.413847 -0.068224 -0.541529 0.007478 0.000872 -0.007365 -0.004409 0.004202 0.001280 0.017069 -0.029609 -0.052452 -0.004480 0.005536 -0.000024 -0.012171 -0.006011 0.001538 -0.401170 -0.161442 0.030632 0.007181 -0.012028 0.003381 -0.486457 -0.204799 0.230024 -0.001541 -0.000979 0.004519 0.392320 0.173180 -0.125061 -0.004186 0.003758 -0.000773 -0.003291 -0.002181 0.006555 -0.015385 -0.274563 -0.344342 0.008656 0.002149 0.006753 0.002636 -0.010158 -0.004258 -0.004297 -0.005544 0.006004 0.194599 -0.056072 0.202837 -0.124336 -0.071847 0.269441 0.003436 -0.062911 0.040209 -0.013588 -0.142487 -0.064848 0.000863 -0.000740 0.001704 0.053191 0.001863 0.011691 0.018873 0.001349 -0.003894 0.035560 0.143062 -0.140345 0.021608 0.016196 -0.240996 0.003230 0.004481 -0.000505 -0.136606 0.067607 0.283812 0.005111 0.010875 -0.003358 0.021523 0.055483 -0.418173 0.016731 -0.001100 0.006799 -0.026449 0.005071 -0.335879 0.000908 -0.016435 -0.006580 0.139150 0.162152 0.406088 0.006430 0.000270 0.000130 0.003758 -0.001657 -0.004108 -0.010042 -0.005061 -0.003997 -0.010053 0.001994 -0.002400 -0.001695 -0.007157 0.001443 0.003913 0.118490 -0.011030 -0.002383 -0.003428 0.004915 -0.108269 0.065217 -0.710758 0.001378 -0.001882 0.002511 0.104667 0.017361 -0.613724 -0.003104 -0.001038 0.006931 -0.079415 -0.108197 0.020983 0.003027 0.008352 -0.002320 -0.008007 0.010534 0.004088 0.004688 0.005358 -0.002883 -0.004681 -0.008073 0.003722 0.008037 -0.005729 -0.001434 -0.017621 0.004157 0.013780 -0.162347 -0.156636 -0.080417 -0.001984 -0.002520 0.001114 -0.005440 -0.001527 -0.008982 -0.006433 0.003273 -0.003505 0.063739 -0.142469 -0.133765 0.164111 -0.182220 -0.314480 0.002161 0.012253 -0.003697 0.056536 -0.101648 1.042559 -0.021322 -0.000232 -0.005504 -0.004636 -0.018890 0.037253 0.005271 -0.000233 -0.001338 -0.003393 -0.012769 0.027366 -0.146969 0.049532 0.004931 -0.009085 -0.001314 0.001295 -0.009526 0.004059 0.000524 -0.179472 0.148597 0.135901 0.004156 0.002278 0.005395 -0.036416 0.258893 0.794117 -0.022024 -0.001849 0.003951 0.009549 -0.143763 0.150980 -0.005356 0.000742 0.002058 0.015778 -0.000526 -0.044111 0.146413 0.343441 0.066400 0.010570 0.000903 0.000781 0.002227 0.008352 0.000329 0.447504 0.241037 -0.131731 -0.002491 -0.009938 0.000798 0.501427 0.079307 0.514960 -0.002553 -0.001355 0.007073 -0.413641 -0.067780 -0.542752 0.007205 0.000592 -0.005621 -0.003904 0.004230 0.000068 0.017320 -0.029570 -0.052022 -0.005049 0.005965 0.000905 -0.012673 -0.005199 0.001841 -0.400473 -0.161632 0.031448 0.006756 -0.009825 0.003208 -0.487866 -0.204520 0.230462 -0.001390 -0.000901 0.003700 0.392349 0.173376 -0.124111 -0.003625 0.004268 -0.000915 -0.001961 -0.001871 0.005455 -0.015352 -0.273936 -0.343918 0.008194 0.001586 0.006287 0.003978 -0.010070 -0.004146 -0.005979 -0.009171 -0.061236 0.193637 -0.055728 0.203212 -0.124331 -0.073229 0.268608 0.002567 -0.063032 0.040053 -0.015387 -0.141878 -0.063081 -0.000479 0.001989 0.004211 0.016180 -0.004021 0.016945 0.005794 0.000252 -0.004216 0.034110 0.143078 -0.139552 0.021132 0.015990 -0.241242 0.004756 0.002216 -0.001696 -0.137266 0.069083 0.283293 0.003777 0.002780 -0.004683 0.022150 0.055316 -0.415724 0.009217 0.000209 0.001791 -0.026461 0.004663 -0.336439 0.002761 -0.006807 -0.008119 0.139738 0.161766 0.405963 0.005726 0.003193 -0.001589 0.004017 -0.001484 -0.003503 -0.005459 -0.002718 -0.004159 -0.005871 0.002229 -0.002830 -0.004063 -0.001751 0.002365 0.005244 0.118436 -0.010304 0.000337 -0.000419 0.003468 -0.108472 0.065095 -0.710850 -0.000612 -0.002537 0.003817 0.104839 0.017217 -0.613675 0.000932 -0.001971 0.005078 -0.078781 -0.107825 0.019243 -0.000132 0.004494 -0.000948 -0.003202 0.002554 -0.000230 0.000977 0.000997 -0.003621 -0.003613 -0.000393 0.003186 0.004854 -0.004068 -0.000212 -0.003844 0.003328 0.007713 -0.161215 -0.156558 -0.079414 -0.007200 -0.002875 -0.000089 -0.002996 -0.002222 -0.005348 -0.000712 0.000855 -0.000743 0.063636 -0.141924 -0.134139 0.165600 -0.175029 -0.315324 0.006356 0.015183 -0.002347 0.058233 -0.101544 1.043213 -0.011007 0.000514 -0.003647 -0.003515 -0.018565 0.036858 0.005646 -0.000155 -0.012334 -0.004082 -0.012694 0.095774 -0.146933 0.049602 0.004612 -0.007551 0.000318 0.000835 -0.008018 -0.000937 0.000944 -0.179200 0.148256 0.135900 0.004803 0.003201 0.004758 -0.036686 0.261003 0.793415 -0.006878 -0.001889 0.006730 0.008414 -0.143850 0.150762 -0.005746 0.000822 0.008807 0.010031 -0.001707 -0.050297 0.146331 0.344529 0.065987 0.009333 0.001540 -0.000574 0.005533 0.010235 0.003967 0.449973 0.233474 -0.131902 -0.000600 -0.005172 0.003238 0.500444 0.079527 0.514487 -0.003274 -0.001128 0.009886 -0.414860 -0.068134 -0.535275 0.008921 0.000833 -0.011496 -0.003205 0.005239 0.000124 0.017284 -0.029672 -0.052475 -0.004307 0.006124 0.000728 -0.011594 -0.001267 0.002475 -0.402169 -0.161522 0.031233 0.007512 -0.011155 0.002927 -0.486896 -0.206230 0.229607 -0.002274 -0.002496 0.006074 0.392375 0.173218 -0.124992 -0.004265 0.003515 -0.001773 0.000167 -0.001159 0.006318 -0.015307 -0.275239 -0.346973 0.007328 0.000859 0.012368 0.003774 -0.013573 -0.003921 -0.008619 -0.016053 -0.191011 0.193030 -0.055301 0.203869 -0.124108 -0.074142 0.269778 0.001612 -0.063584 0.040736 -0.017562 -0.141913 -0.059131 -0.001591 0.006150 0.008204 -0.060639 -0.020528 -0.002998 -0.017760 -0.003398 -0.001858 0.032131 0.143713 -0.137417 0.020417 0.015893 -0.238436 0.008370 -0.002367 -0.012908 -0.136781 0.069561 0.284891 0.001994 -0.011950 -0.006702 0.024480 0.055230 -0.414926 0.000944 0.002195 -0.007385 -0.024816 0.003859 -0.336269 0.006076 0.011200 -0.009633 0.139336 0.161920 0.406450 0.008540 0.010449 -0.004661 0.005524 0.000027 0.000577 0.003074 0.002754 -0.005362 0.001466 0.002486 -0.002172 -0.008676 0.007527 0.003483 0.007211 0.118938 -0.008660 0.005223 0.004441 0.001057 -0.108379 0.065070 -0.709748 -0.004130 -0.003334 0.006927 0.105063 0.016967 -0.612786 0.005166 -0.004859 0.000376 -0.077728 -0.108078 0.019193 -0.005912 -0.001935 0.001821 0.005133 -0.007400 -0.006402 -0.002131 -0.004714 -0.003800 -0.001369 0.010074 0.002883 -0.001879 -0.003325 0.002540 0.020919 0.004521 0.002838 -0.160399 -0.156570 -0.078033 -0.012939 -0.003356 0.001080 0.001382 -0.004343 0.002932 0.006255 -0.002816 0.005313 0.063400 -0.141799 -0.133894 0.165914 -0.171079 -0.317453 0.005465 0.010486 0.001950 0.065823 -0.101128 1.042922 0.021766 0.001863 0.004879 -0.005341 -0.018330 0.036022 0.002843 0.001871 0.007267 0.005775 -0.001709 0.220956 -0.146471 0.050987 0.003932 0.000364 -0.004736 0.002753 0.003809 -0.012409 0.002060 -0.177200 0.146012 0.138648 -0.006122 0.004127 -0.002185 -0.041795 0.260511 0.791817 0.022156 0.002685 0.000339 0.010351 -0.143760 0.150934 -0.007823 0.002772 0.006223 -0.020714 -0.004404 -0.025434 0.146011 0.344291 0.065653 -0.002066 0.003735 -0.003562 0.006914 0.009910 0.003258 0.448144 0.229428 -0.134108 0.005368 0.005498 0.002865 0.503338 0.079908 0.514115 -0.001568 -0.000429 0.002736 -0.415390 -0.068069 -0.533799 0.001386 -0.001069 -0.007703 -0.001264 0.001620 -0.002701 0.017577 -0.031539 -0.053702 0.000213 0.004464 0.004199 0.003519 0.010739 0.001626 -0.399437 -0.159384 0.032629 -0.004155 -0.003732 0.002295 -0.489895 -0.205454 0.229997 0.001822 -0.005887 0.000918 0.393237 0.172824 -0.125815 -0.000462 0.001915 -0.001998 0.008921 -0.000538 -0.001984 -0.015711 -0.275255 -0.348520 -0.001423 -0.006299 0.005198 0.004794 -0.011644 0.002017 -0.007620 -0.012983 -0.122813 0.194220 -0.055635 0.202380 -0.123827 -0.072902 0.270133 0.002173 -0.063564 0.040745 -0.015623 -0.143218 -0.061108 -0.000217 0.003649 0.007695 -0.016332 -0.009422 -0.000059 -0.003191 -0.002114 -0.000902 0.033637 0.144263 -0.138459 0.020532 0.016204 -0.238849 0.005333 0.002455 -0.000579 -0.136359 0.069325 0.284285 0.003965 -0.004483 -0.005926 0.023557 0.055363 -0.417491 0.007756 0.001652 -0.002548 -0.025984 0.002503 -0.336199 0.004801 0.001984 -0.008506 0.138732 0.163063 0.406632 0.008304 0.006996 -0.003281 0.004925 0.000299 -0.000320 -0.002191 0.000401 -0.004879 -0.003175 0.002303 -0.002268 -0.006118 0.002300 0.002563 0.005584 0.119387 -0.009613 0.002220 0.001166 0.002795 -0.108156 0.065175 -0.709540 -0.001949 -0.003083 0.005751 0.104589 0.017190 -0.614018 0.001444 -0.003609 0.002787 -0.078477 -0.108558 0.019737 -0.002689 0.001837 0.000546 0.000368 -0.001042 -0.001945 0.000296 -0.001622 -0.003454 -0.002564 0.003130 0.004292 0.002005 -0.005215 0.001834 0.008146 0.004630 0.007182 -0.161817 -0.156753 -0.079940 -0.009157 -0.003351 0.001656 -0.001166 -0.003577 -0.000475 0.000742 -0.000460 0.002553 0.063312 -0.142845 -0.133428 0.164540 -0.173000 -0.317551 0.002931 0.009412 -0.000514 0.064173 -0.101467 1.041375 0.014814 0.000525 0.002239 -0.004637 -0.018924 0.036123 0.003205 0.001714 0.011234 0.005320 -0.001821 0.148200 -0.146930 0.050826 0.004137 -0.001271 -0.005882 0.002784 0.002947 -0.006810 0.001050 -0.177582 0.147219 0.137982 -0.006709 0.003165 -0.001287 -0.042018 0.259067 0.793724 0.004767 0.003025 -0.001029 0.009426 -0.143842 0.149389 -0.008490 0.002219 0.001546 -0.014305 -0.002710 -0.016350 0.146088 0.344278 0.065845 -0.000841 0.004097 -0.002708 0.004440 0.005490 0.001269 0.446911 0.232037 -0.134354 0.002797 -0.001188 -0.000409 0.498593 0.079642 0.514214 -0.001251 -0.001683 0.000101 -0.414558 -0.068320 -0.539342 0.000180 -0.001240 -0.004457 0.001532 -0.000054 -0.002214 0.017254 -0.031409 -0.053030 -0.000511 0.004133 0.003487 0.002619 0.005703 0.001372 -0.399174 -0.160399 0.032278 -0.004572 -0.001845 0.002083 -0.485126 -0.204222 0.231763 0.002442 -0.004271 -0.003516 0.392884 0.172832 -0.124453 -0.000135 0.002612 -0.002196 0.002757 -0.000119 -0.003502 -0.015523 -0.275468 -0.345845 0.000219 -0.006613 0.001016 0.002762 -0.007549 0.002582 -0.007093 -0.011824 -0.101907 0.194399 -0.055662 0.202922 -0.123761 -0.073306 0.269189 0.002313 -0.063279 0.040278 -0.014875 -0.143279 -0.062199 0.000265 0.003006 0.007022 -0.005644 -0.007541 0.010750 0.000515 -0.001292 -0.001436 0.034321 0.144303 -0.139253 0.021042 0.015929 -0.239791 0.004764 0.002450 0.002110 -0.136355 0.070011 0.283547 0.003631 -0.003297 -0.004233 0.022986 0.055317 -0.416780 0.005920 0.001296 -0.000563 -0.026320 0.003035 -0.336358 0.004106 0.000032 -0.007266 0.138770 0.163147 0.406411 0.006275 0.005534 -0.002507 0.005062 -0.001394 -0.001896 -0.003333 -0.000792 -0.004204 -0.004646 0.002213 -0.002129 -0.005509 0.000418 0.002507 0.005129 0.119389 -0.010001 0.002250 0.000303 0.003308 -0.108228 0.065104 -0.709683 -0.000519 -0.002881 0.004895 0.104633 0.017103 -0.614535 0.000353 -0.003389 0.003037 -0.078704 -0.108110 0.019633 -0.001426 0.002345 0.000134 -0.000985 0.000172 -0.000871 0.000385 -0.000571 -0.003290 -0.002949 0.001894 0.004386 0.003450 -0.004466 0.001113 0.004929 0.004420 0.008383 -0.162119 -0.156750 -0.080468 -0.008952 -0.003130 0.001754 -0.001847 -0.003408 -0.001495 0.000902 0.000248 0.001336 0.063298 -0.143081 -0.133687 0.164706 -0.173179 -0.317142 0.003106 0.007810 -0.001841 0.063077 -0.101663 1.041038 0.006867 0.000072 0.000693 -0.004814 -0.018946 0.036394 0.003818 0.000913 0.002803 0.003844 -0.003342 0.128856 -0.146608 0.051910 0.004312 -0.003181 -0.004870 0.002227 0.000704 -0.005048 0.000925 -0.178156 0.147861 0.137381 -0.004226 0.001899 -0.000724 -0.041229 0.259560 0.794881 0.002713 0.001922 -0.000304 0.009634 -0.143791 0.150766 -0.007485 0.002677 0.001798 -0.009032 -0.002570 -0.022858 0.145912 0.344236 0.065840 0.001580 0.003480 -0.002343 0.004181 0.006188 0.001312 0.448042 0.232145 -0.133826 0.001272 -0.000926 -0.000268 0.498855 0.079724 0.514475 -0.001624 -0.001530 0.001457 -0.414835 -0.068328 -0.539223 0.001163 -0.000279 -0.006337 0.000329 0.001931 -0.001837 0.017484 -0.032282 -0.052467 -0.001812 0.004429 0.002562 -0.000977 0.003991 0.001433 -0.400289 -0.160884 0.031648 -0.001272 -0.001854 0.001811 -0.485187 -0.204964 0.230835 0.002015 -0.003374 -0.001355 0.392766 0.172874 -0.122705 -0.000881 0.002915 -0.004005 0.002497 -0.000217 -0.002519 -0.015481 -0.275252 -0.345865 0.002132 -0.005063 0.003069 0.003954 -0.008396 0.000937 -0.006645 -0.009906 -0.070872 0.194061 -0.055723 0.203612 -0.124030 -0.073655 0.268832 0.002136 -0.063251 0.040283 -0.015390 -0.142780 -0.061690 -0.000324 0.003372 0.006649 -0.016460 -0.009210 0.013678 -0.004988 -0.001260 -0.003035 0.033998 0.144194 -0.138915 0.021117 0.015877 -0.239694 0.005363 0.000704 -0.003226 -0.136985 0.069779 0.283698 0.002822 -0.004366 -0.004325 0.023016 0.055209 -0.414571 0.002825 0.001481 -0.001362 -0.025996 0.004070 -0.336293 0.004109 0.001884 -0.007407 0.139601 0.162154 0.406416 0.005207 0.005629 -0.002689 0.005179 -0.001603 -0.001877 -0.001598 -0.000506 -0.003829 -0.001987 0.002129 -0.002329 -0.005672 0.002772 0.001908 0.005680 0.119206 -0.009541 0.002621 0.001155 0.002325 -0.108290 0.065066 -0.709838 -0.001964 -0.002140 0.004787 0.104789 0.017077 -0.613746 0.001092 -0.003254 0.001457 -0.078357 -0.107841 0.019434 -0.002624 0.001122 -0.000184 0.000346 -0.001875 -0.001649 -0.000275 -0.001249 -0.003119 -0.002404 0.003966 0.003901 0.002638 -0.003725 0.001285 0.008772 0.004694 0.006933 -0.161489 -0.156682 -0.079613 -0.009558 -0.002946 0.001428 -0.000762 -0.003374 -0.000681 0.002290 -0.000379 0.002025 0.063522 -0.142513 -0.133895 0.165583 -0.171936 -0.316962 0.004360 0.011519 -0.000566 0.063119 -0.101471 1.041828 0.012142 0.000008 0.000674 -0.003049 -0.018496 0.036627 0.003816 0.000512 -0.006308 0.000256 -0.008327 0.102489 -0.146494 0.050318 0.004520 -0.002498 -0.003756 0.001682 0.000547 -0.005877 0.001127 -0.178285 0.146958 0.137563 -0.003098 0.000523 -0.000558 -0.040524 0.261186 0.794006 0.002690 0.000490 0.001536 0.008157 -0.143650 0.151703 -0.007247 0.001831 0.005369 -0.008389 -0.002348 -0.030192 0.146096 0.344406 0.066002 0.001367 0.002780 -0.002560 0.004715 0.008048 0.002286 0.449825 0.230507 -0.133253 0.000745 -0.001921 0.001007 0.500189 0.079642 0.514560 -0.001187 -0.001101 0.002340 -0.414999 -0.068548 -0.536139 0.003017 -0.000465 -0.008053 -0.001646 0.002115 -0.001931 0.017595 -0.030561 -0.052538 -0.001494 0.004200 0.002674 -0.001315 0.004453 0.001707 -0.401556 -0.160059 0.031961 0.000719 -0.000929 0.002006 -0.486290 -0.206771 0.229678 0.000867 -0.002779 0.001656 0.392642 0.172962 -0.123721 -0.001141 0.002802 -0.002858 0.005295 -0.000081 -0.001861 -0.015430 -0.275132 -0.347763 0.001324 -0.004015 0.006209 0.004190 -0.010342 -0.000223 -0.005679 -0.004122 0.030789 0.192979 -0.055646 0.204342 -0.124536 -0.074087 0.269591 0.001801 -0.063616 0.040380 -0.017388 -0.141592 -0.059677 -0.001342 0.004345 0.005848 -0.042423 -0.012907 -0.000172 -0.013941 -0.002801 -0.001427 0.032117 0.143400 -0.137587 0.020309 0.016015 -0.239205 0.006939 -0.001610 -0.011055 -0.136748 0.068668 0.284833 0.002513 -0.009499 -0.006259 0.024625 0.055341 -0.413716 0.000066 0.001619 -0.005123 -0.024514 0.005165 -0.336477 0.005074 0.008496 -0.008590 0.139280 0.161016 0.406041 0.005550 0.007442 -0.004353 0.003997 -0.000063 0.000343 0.002094 0.001442 -0.004562 0.000128 0.002236 -0.002864 -0.006954 0.007083 0.004728 0.007282 0.118309 -0.009506 0.003882 0.003298 0.000563 -0.108631 0.064980 -0.709810 -0.002669 -0.002268 0.005588 0.105145 0.016956 -0.612190 0.003542 -0.003976 0.000560 -0.077909 -0.107771 0.019713 -0.003437 -0.002057 0.001814 0.003859 -0.006594 -0.005139 -0.001568 -0.003395 -0.003720 -0.000952 0.008705 0.001714 -0.001081 -0.002672 0.001365 0.020595 0.003989 0.004872 -0.160375 -0.156499 -0.077561 -0.012827 -0.002715 0.001372 0.001052 -0.003413 0.001443 0.005732 -0.001988 0.003943 0.063576 -0.141354 -0.134063 0.165876 -0.173925 -0.317078 0.005290 0.009688 0.001619 0.064035 -0.101399 1.042338 0.013716 0.000667 0.004236 -0.003670 -0.018084 0.036494 0.002829 0.000084 0.002900 -0.003110 -0.015794 -0.000139 -0.146390 0.048842 0.004483 -0.000472 -0.003100 0.001987 0.002417 -0.008628 0.000667 -0.177620 0.146464 0.138446 -0.003649 0.004040 -0.001653 -0.040543 0.258514 0.791693 0.016463 0.001143 0.002991 0.008817 -0.143821 0.151896 -0.005895 0.001634 0.006709 -0.013792 -0.004095 -0.028733 0.146025 0.343884 0.066201 -0.000296 0.003545 -0.002983 0.005924 0.005644 0.003587 0.447466 0.232093 -0.133265 0.004041 0.003773 0.002464 0.505141 0.080102 0.514336 -0.001998 -0.000850 0.003435 -0.415380 -0.067996 -0.534428 0.002552 -0.000375 -0.010161 0.002575 0.003478 -0.002633 0.017726 -0.029175 -0.053155 -0.000388 0.004447 0.003397 0.000364 0.006417 0.001290 -0.398848 -0.159843 0.032366 -0.001947 -0.004588 0.001248 -0.491876 -0.203457 0.230594 0.000617 -0.005437 -0.000248 0.393020 0.173103 -0.125489 -0.000602 0.001776 -0.001772 0.003473 -0.000685 -0.000924 -0.015851 -0.274399 -0.346691 0.000132 -0.004333 0.005167 0.004662 -0.007214 0.002020</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="8.37955"
                           xFract="0.99283768"
                           y3="8.42484"
                           yFract="0.99820379"
                           z3="9.51152"
                           zFract="0.42806121"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32811"
                           xFract="0.74977607"
                           y3="4.21107"
                           yFract="0.49894194"
                           z3="4.20939"
                           zFract="0.18944149"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="8.43513"
                           xFract="0.99942299"
                           y3="0.01316"
                           yFract="0.00155924"
                           z3="6.38534"
                           zFract="0.28736904"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34886"
                           xFract="0.7522346"
                           y3="4.20726"
                           yFract="0.49849052"
                           z3="8.4987"
                           zFract="0.38247975"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11093"
                           xFract="0.25011019"
                           y3="4.21797"
                           yFract="0.49975948"
                           z3="4.22329"
                           zFract="0.19006706"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25004"
                           xFract="0.50355924"
                           y3="6.32393"
                           yFract="0.74928081"
                           z3="8.4779"
                           zFract="0.38154365"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11794"
                           xFract="0.25094076"
                           y3="8.43656"
                           yFract="0.99959242"
                           z3="4.22263"
                           zFract="0.19003735"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25527"
                           xFract="0.50417891"
                           y3="2.11608"
                           yFract="0.25072038"
                           z3="8.5349"
                           zFract="0.38410891"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07238"
                           xFract="0.24554265"
                           y3="2.12154"
                           yFract="0.2513673"
                           z3="6.41975"
                           zFract="0.28891764"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22099"
                           xFract="0.5001173"
                           y3="6.3153"
                           yFract="0.74825829"
                           z3="4.24521"
                           zFract="0.19105356"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42837"
                           xFract="0.99862204"
                           y3="4.22246"
                           yFract="0.50029147"
                           z3="6.39749"
                           zFract="0.28791584"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0857"
                           xFract="0.24712085"
                           y3="4.20636"
                           yFract="0.49838389"
                           z3="8.66515"
                           zFract="0.38997075"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.4312"
                           xFract="0.99895735"
                           y3="6.30738"
                           yFract="0.74731991"
                           z3="8.65563"
                           zFract="0.3895423"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35166"
                           xFract="0.75256635"
                           y3="6.31564"
                           yFract="0.74829858"
                           z3="6.38224"
                           zFract="0.28722952"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3786"
                           xFract="0.75575829"
                           y3="2.12107"
                           yFract="0.25131161"
                           z3="6.43286"
                           zFract="0.28950765"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21288"
                           xFract="0.4991564"
                           y3="8.43985"
                           yFract="0.99998223"
                           z3="6.40329"
                           zFract="0.28817687"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="8.43642"
                           xFract="0.99957583"
                           y3="2.1423"
                           yFract="0.25382701"
                           z3="8.68524"
                           zFract="0.39087489"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43577"
                           xFract="0.99949882"
                           y3="2.12526"
                           yFract="0.25180806"
                           z3="4.25469"
                           zFract="0.1914802"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05088"
                           xFract="0.24299526"
                           y3="6.2956"
                           yFract="0.74592417"
                           z3="6.4488"
                           zFract="0.29022502"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00918"
                           xFract="0.00108768"
                           y3="6.31358"
                           yFract="0.7480545"
                           z3="4.21921"
                           zFract="0.18988344"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23077"
                           xFract="0.50127607"
                           y3="2.10989"
                           yFract="0.24998697"
                           z3="4.28306"
                           zFract="0.19275698"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.35444"
                           xFract="0.75289573"
                           y3="0.03364"
                           yFract="0.00398578"
                           z3="8.52356"
                           zFract="0.38359856"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.10314"
                           xFract="0.2491872"
                           y3="0.00688"
                           yFract="0.00081517"
                           z3="8.53903"
                           zFract="0.38429478"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19936"
                           xFract="0.4975545"
                           y3="4.20372"
                           yFract="0.49807109"
                           z3="6.40713"
                           zFract="0.28834968"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32731"
                           xFract="0.74968128"
                           y3="0.01102"
                           yFract="0.00130569"
                           z3="4.2425"
                           zFract="0.19093159"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02301"
                           xFract="0.0027263"
                           y3="2.09124"
                           yFract="0.24777725"
                           z3="6.31078"
                           zFract="0.2840135"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02211"
                           xFract="0.23958649"
                           y3="0.00637"
                           yFract="0.00075474"
                           z3="6.35789"
                           zFract="0.28613366"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01765"
                           xFract="0.00209123"
                           y3="0.00451"
                           yFract="0.00053436"
                           z3="4.21387"
                           zFract="0.18964311"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.37955"
                           xFract="0.99283768"
                           y3="8.42484"
                           yFract="0.99820379"
                           z3="8.51162"
                           zFract="0.38306121"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14348"
                           xFract="0.25396682"
                           y3="2.10186"
                           yFract="0.24903555"
                           z3="4.24908"
                           zFract="0.19122772"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10632"
                           xFract="0.24956398"
                           y3="2.09453"
                           yFract="0.24816706"
                           z3="8.55469"
                           zFract="0.38499955"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.18896"
                           xFract="0.49632227"
                           y3="2.01623"
                           yFract="0.23888981"
                           z3="6.45071"
                           zFract="0.29031098"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.43415"
                           xFract="0.76234005"
                           y3="0.09346"
                           yFract="0.01107346"
                           z3="6.36372"
                           zFract="0.28639604"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21502"
                           xFract="0.49940995"
                           y3="8.39963"
                           yFract="0.99521682"
                           z3="4.14379"
                           zFract="0.1864892"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34599"
                           xFract="0.51492773"
                           y3="8.42995"
                           yFract="0.99880924"
                           z3="8.72312"
                           zFract="0.39257966"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30644"
                           xFract="0.74720853"
                           y3="2.19263"
                           yFract="0.25979028"
                           z3="4.13155"
                           zFract="0.18593834"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.38322"
                           xFract="0.75630569"
                           y3="2.27718"
                           yFract="0.26980806"
                           z3="8.69757"
                           zFract="0.39142979"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40066"
                           xFract="0.99533886"
                           y3="6.36756"
                           yFract="0.75445024"
                           z3="6.27393"
                           zFract="0.28235509"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09425"
                           xFract="0.24813389"
                           y3="4.2095"
                           yFract="0.49875592"
                           z3="6.26545"
                           zFract="0.28197345"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00135"
                           xFract="0.00015995"
                           y3="4.21565"
                           yFract="0.4994846"
                           z3="4.25329"
                           zFract="0.19141719"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37414"
                           xFract="0.99219668"
                           y3="4.23551"
                           yFract="0.50183768"
                           z3="8.50149"
                           zFract="0.38260531"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15831"
                           xFract="0.25572393"
                           y3="6.32668"
                           yFract="0.74960664"
                           z3="4.18203"
                           zFract="0.18821017"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11092"
                           xFract="0.250109"
                           y3="6.34193"
                           yFract="0.75141351"
                           z3="8.58332"
                           zFract="0.38628803"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24384"
                           xFract="0.50282464"
                           y3="6.41691"
                           yFract="0.76029739"
                           z3="6.3824"
                           zFract="0.28723672"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3261"
                           xFract="0.74953791"
                           y3="4.12494"
                           yFract="0.48873697"
                           z3="6.26616"
                           zFract="0.2820054"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21001"
                           xFract="0.49881635"
                           y3="4.2427"
                           yFract="0.50268957"
                           z3="4.21915"
                           zFract="0.18988074"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30839"
                           xFract="0.51047275"
                           y3="4.22214"
                           yFract="0.50025355"
                           z3="8.5138"
                           zFract="0.38315932"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28569"
                           xFract="0.74475"
                           y3="6.24159"
                           yFract="0.73952488"
                           z3="4.25202"
                           zFract="0.19136004"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37764"
                           xFract="0.75564455"
                           y3="6.15991"
                           yFract="0.72984716"
                           z3="8.47437"
                           zFract="0.38138479"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a55" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a68" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a68" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.38923"
                           xFract="0.9939846"
                           y3="8.42664"
                           yFract="0.99841706"
                           z3="9.49822"
                           zFract="0.42746265"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3277"
                           xFract="0.74972749"
                           y3="4.21118"
                           yFract="0.49895498"
                           z3="4.21012"
                           zFract="0.18947435"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.00138"
                           xFract="0.00016351"
                           y3="0.01339"
                           yFract="0.00158649"
                           z3="6.31086"
                           zFract="0.2840171"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.35778"
                           xFract="0.75329147"
                           y3="4.20707"
                           yFract="0.49846801"
                           z3="8.50265"
                           zFract="0.38265752"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1093"
                           xFract="0.24991706"
                           y3="4.21752"
                           yFract="0.49970616"
                           z3="4.21918"
                           zFract="0.18988209"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25296"
                           xFract="0.50390521"
                           y3="6.3235"
                           yFract="0.74922986"
                           z3="8.47575"
                           zFract="0.38144689"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1209"
                           xFract="0.25129147"
                           y3="8.43697"
                           yFract="0.999641"
                           z3="4.22092"
                           zFract="0.1899604"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25857"
                           xFract="0.50456991"
                           y3="2.11694"
                           yFract="0.25082227"
                           z3="8.53191"
                           zFract="0.38397435"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07425"
                           xFract="0.24576422"
                           y3="2.12188"
                           yFract="0.25140758"
                           z3="6.41245"
                           zFract="0.28858911"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22116"
                           xFract="0.50013744"
                           y3="6.31628"
                           yFract="0.74837441"
                           z3="4.2430"
                           zFract="0.1909541"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42676"
                           xFract="0.99843128"
                           y3="4.22184"
                           yFract="0.50021801"
                           z3="6.39458"
                           zFract="0.28778488"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08234"
                           xFract="0.24672275"
                           y3="4.20743"
                           yFract="0.49851066"
                           z3="8.66512"
                           zFract="0.3899694"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.43483"
                           xFract="0.99938744"
                           y3="6.24722"
                           yFract="0.74019194"
                           z3="8.6474"
                           zFract="0.38917192"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34977"
                           xFract="0.75234242"
                           y3="6.31455"
                           yFract="0.74816943"
                           z3="6.37743"
                           zFract="0.28701305"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37648"
                           xFract="0.75550711"
                           y3="2.12256"
                           yFract="0.25148815"
                           z3="6.42999"
                           zFract="0.28937849"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2126"
                           xFract="0.49912322"
                           y3="8.43955"
                           yFract="0.99994668"
                           z3="6.40123"
                           zFract="0.28808416"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="8.43969"
                           xFract="0.99996327"
                           y3="2.19951"
                           yFract="0.26060545"
                           z3="8.67932"
                           zFract="0.39060846"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43645"
                           xFract="0.99957938"
                           y3="2.12802"
                           yFract="0.25213507"
                           z3="4.25108"
                           zFract="0.19131773"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05286"
                           xFract="0.24322986"
                           y3="6.29563"
                           yFract="0.74592773"
                           z3="6.44148"
                           zFract="0.28989559"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00952"
                           xFract="0.00112796"
                           y3="6.31073"
                           yFract="0.74771682"
                           z3="4.21489"
                           zFract="0.18968902"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23087"
                           xFract="0.50128791"
                           y3="2.10874"
                           yFract="0.24985071"
                           z3="4.2809"
                           zFract="0.19265977"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.27741"
                           xFract="0.74376896"
                           y3="0.03756"
                           yFract="0.00445024"
                           z3="8.49109"
                           zFract="0.38213726"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.16865"
                           xFract="0.25694905"
                           y3="0.00666"
                           yFract="0.0007891"
                           z3="8.51439"
                           zFract="0.38318587"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20023"
                           xFract="0.49765758"
                           y3="4.20373"
                           yFract="0.49807227"
                           z3="6.40379"
                           zFract="0.28819937"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32482"
                           xFract="0.74938626"
                           y3="0.01093"
                           yFract="0.00129502"
                           z3="4.23961"
                           zFract="0.19080153"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02522"
                           xFract="0.00298815"
                           y3="2.08483"
                           yFract="0.24701777"
                           z3="6.31854"
                           zFract="0.28436274"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02213"
                           xFract="0.23958886"
                           y3="0.00559"
                           yFract="0.00066232"
                           z3="6.37112"
                           zFract="0.28672907"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01726"
                           xFract="0.00204502"
                           y3="0.00438"
                           yFract="0.00051896"
                           z3="4.22082"
                           zFract="0.1899559"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.37389"
                           xFract="0.99216706"
                           y3="8.42224"
                           yFract="0.99789573"
                           z3="8.61404"
                           zFract="0.38767057"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14273"
                           xFract="0.25387796"
                           y3="2.10083"
                           yFract="0.24891351"
                           z3="4.25121"
                           zFract="0.19132358"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10541"
                           xFract="0.24945616"
                           y3="2.07947"
                           yFract="0.2463827"
                           z3="8.56115"
                           zFract="0.38529028"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1877"
                           xFract="0.49617299"
                           y3="2.01453"
                           yFract="0.23868839"
                           z3="6.45589"
                           zFract="0.2905441"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.43391"
                           xFract="0.76231161"
                           y3="0.09295"
                           yFract="0.01101303"
                           z3="6.38171"
                           zFract="0.28720567"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21559"
                           xFract="0.49947749"
                           y3="8.39954"
                           yFract="0.99520616"
                           z3="4.14478"
                           zFract="0.18653375"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34733"
                           xFract="0.51508649"
                           y3="8.43001"
                           yFract="0.99881635"
                           z3="8.73099"
                           zFract="0.39293384"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30673"
                           xFract="0.74724289"
                           y3="2.19211"
                           yFract="0.25972867"
                           z3="4.1326"
                           zFract="0.1859856"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37806"
                           xFract="0.75569431"
                           y3="2.25731"
                           yFract="0.26745379"
                           z3="8.70677"
                           zFract="0.39184383"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40321"
                           xFract="0.995641"
                           y3="6.37508"
                           yFract="0.75534123"
                           z3="6.28174"
                           zFract="0.28270657"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09484"
                           xFract="0.24820379"
                           y3="4.20963"
                           yFract="0.49877133"
                           z3="6.2707"
                           zFract="0.28220972"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0035"
                           xFract="0.00041469"
                           y3="4.21623"
                           yFract="0.49955332"
                           z3="4.26338"
                           zFract="0.19187129"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3718"
                           xFract="0.99191943"
                           y3="4.23624"
                           yFract="0.50192417"
                           z3="8.5021"
                           zFract="0.38263276"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15783"
                           xFract="0.25566706"
                           y3="6.32738"
                           yFract="0.74968957"
                           z3="4.18458"
                           zFract="0.18832493"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11005"
                           xFract="0.25000592"
                           y3="6.35758"
                           yFract="0.75326777"
                           z3="8.59012"
                           zFract="0.38659406"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24176"
                           xFract="0.5025782"
                           y3="6.41884"
                           yFract="0.76052607"
                           z3="6.38522"
                           zFract="0.28736364"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32542"
                           xFract="0.74945735"
                           y3="4.12504"
                           yFract="0.48874882"
                           z3="6.26638"
                           zFract="0.2820153"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20983"
                           xFract="0.49879502"
                           y3="4.24309"
                           yFract="0.50273578"
                           z3="4.22157"
                           zFract="0.18998965"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30733"
                           xFract="0.51034716"
                           y3="4.22178"
                           yFract="0.5002109"
                           z3="8.5164"
                           zFract="0.38327633"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28632"
                           xFract="0.74482464"
                           y3="6.24184"
                           yFract="0.7395545"
                           z3="4.25176"
                           zFract="0.19134833"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37244"
                           xFract="0.75502844"
                           y3="6.1767"
                           yFract="0.73183649"
                           z3="8.48226"
                           zFract="0.38173987"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a68" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a68" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.38642"
                           xFract="0.99365166"
                           y3="8.42612"
                           yFract="0.99835545"
                           z3="9.50208"
                           zFract="0.42763636"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32782"
                           xFract="0.74974171"
                           y3="4.21115"
                           yFract="0.49895142"
                           z3="4.20991"
                           zFract="0.1894649"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="-0.00044"
                           xFract="-0.00005213"
                           y3="0.01332"
                           yFract="0.0015782"
                           z3="6.33251"
                           zFract="0.28499145"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.35519"
                           xFract="0.7529846"
                           y3="4.20712"
                           yFract="0.49847393"
                           z3="8.50151"
                           zFract="0.38260621"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10977"
                           xFract="0.24997275"
                           y3="4.21766"
                           yFract="0.49972275"
                           z3="4.22037"
                           zFract="0.18993564"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25211"
                           xFract="0.5038045"
                           y3="6.32362"
                           yFract="0.74924408"
                           z3="8.47638"
                           zFract="0.38147525"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12004"
                           xFract="0.25118957"
                           y3="8.43685"
                           yFract="0.99962678"
                           z3="4.22142"
                           zFract="0.1899829"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25761"
                           xFract="0.50445616"
                           y3="2.11669"
                           yFract="0.25079265"
                           z3="8.53278"
                           zFract="0.3840135"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07371"
                           xFract="0.24570024"
                           y3="2.12178"
                           yFract="0.25139573"
                           z3="6.41457"
                           zFract="0.28868452"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22111"
                           xFract="0.50013152"
                           y3="6.3160"
                           yFract="0.74834123"
                           z3="4.24364"
                           zFract="0.1909829"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42723"
                           xFract="0.99848697"
                           y3="4.22202"
                           yFract="0.50023934"
                           z3="6.39543"
                           zFract="0.28782313"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08331"
                           xFract="0.24683768"
                           y3="4.20712"
                           yFract="0.49847393"
                           z3="8.66513"
                           zFract="0.38996985"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.43377"
                           xFract="0.99926185"
                           y3="6.2647"
                           yFract="0.74226303"
                           z3="8.64979"
                           zFract="0.38927948"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35032"
                           xFract="0.75240758"
                           y3="6.31487"
                           yFract="0.74820735"
                           z3="6.37883"
                           zFract="0.28707606"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3771"
                           xFract="0.75558057"
                           y3="2.12213"
                           yFract="0.2514372"
                           z3="6.43083"
                           zFract="0.28941629"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21268"
                           xFract="0.4991327"
                           y3="8.43963"
                           yFract="0.99995616"
                           z3="6.40183"
                           zFract="0.28811116"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="8.43874"
                           xFract="0.99985071"
                           y3="2.18288"
                           yFract="0.25863507"
                           z3="8.68104"
                           zFract="0.39068587"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43626"
                           xFract="0.99955687"
                           y3="2.12722"
                           yFract="0.25204028"
                           z3="4.25213"
                           zFract="0.19136499"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05229"
                           xFract="0.24316232"
                           y3="6.29562"
                           yFract="0.74592654"
                           z3="6.44361"
                           zFract="0.28999145"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00942"
                           xFract="0.00111611"
                           y3="6.31156"
                           yFract="0.74781517"
                           z3="4.21614"
                           zFract="0.18974527"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23084"
                           xFract="0.50128436"
                           y3="2.10908"
                           yFract="0.249891"
                           z3="4.28153"
                           zFract="0.19268812"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.2998"
                           xFract="0.7464218"
                           y3="0.03642"
                           yFract="0.00431517"
                           z3="8.50053"
                           zFract="0.38256211"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.14961"
                           xFract="0.25469313"
                           y3="0.00672"
                           yFract="0.00079621"
                           z3="8.52155"
                           zFract="0.3835081"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19998"
                           xFract="0.49762796"
                           y3="4.20373"
                           yFract="0.49807227"
                           z3="6.40476"
                           zFract="0.28824302"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32554"
                           xFract="0.74947156"
                           y3="0.01096"
                           yFract="0.00129858"
                           z3="4.24045"
                           zFract="0.19083933"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02458"
                           xFract="0.00291232"
                           y3="2.08669"
                           yFract="0.24723815"
                           z3="6.31628"
                           zFract="0.28426103"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02212"
                           xFract="0.23958768"
                           y3="0.00582"
                           yFract="0.00068957"
                           z3="6.36727"
                           zFract="0.28655581"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01737"
                           xFract="0.00205806"
                           y3="0.00442"
                           yFract="0.0005237"
                           z3="4.2188"
                           zFract="0.18986499"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.37554"
                           xFract="0.99236256"
                           y3="8.4230"
                           yFract="0.99798578"
                           z3="8.58427"
                           zFract="0.38633078"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14295"
                           xFract="0.25390403"
                           y3="2.10113"
                           yFract="0.24894905"
                           z3="4.25059"
                           zFract="0.19129568"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10567"
                           xFract="0.24948697"
                           y3="2.08384"
                           yFract="0.24690047"
                           z3="8.55927"
                           zFract="0.38520567"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.18806"
                           xFract="0.49621564"
                           y3="2.01503"
                           yFract="0.23874763"
                           z3="6.45439"
                           zFract="0.2904766"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.43398"
                           xFract="0.76231991"
                           y3="0.0931"
                           yFract="0.01103081"
                           z3="6.37648"
                           zFract="0.2869703"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21542"
                           xFract="0.49945735"
                           y3="8.39956"
                           yFract="0.99520853"
                           z3="4.1445"
                           zFract="0.18652115"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34694"
                           xFract="0.51504028"
                           y3="8.4300"
                           yFract="0.99881517"
                           z3="8.7287"
                           zFract="0.39283078"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30664"
                           xFract="0.74723223"
                           y3="2.19226"
                           yFract="0.25974645"
                           z3="4.13229"
                           zFract="0.18597165"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37956"
                           xFract="0.75587204"
                           y3="2.26309"
                           yFract="0.26813863"
                           z3="8.7041"
                           zFract="0.39172367"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40247"
                           xFract="0.99555332"
                           y3="6.37289"
                           yFract="0.75508175"
                           z3="6.27947"
                           zFract="0.28260441"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09467"
                           xFract="0.24818365"
                           y3="4.20959"
                           yFract="0.49876659"
                           z3="6.26917"
                           zFract="0.28214086"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00288"
                           xFract="0.00034123"
                           y3="4.21606"
                           yFract="0.49953318"
                           z3="4.26044"
                           zFract="0.19173897"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37248"
                           xFract="0.9920"
                           y3="4.23603"
                           yFract="0.50189929"
                           z3="8.50192"
                           zFract="0.38262466"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15797"
                           xFract="0.25568365"
                           y3="6.32718"
                           yFract="0.74966588"
                           z3="4.18384"
                           zFract="0.18829163"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1103"
                           xFract="0.25003555"
                           y3="6.35303"
                           yFract="0.75272867"
                           z3="8.58815"
                           zFract="0.3865054"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24236"
                           xFract="0.50264929"
                           y3="6.41828"
                           yFract="0.76045972"
                           z3="6.3844"
                           zFract="0.28732673"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32562"
                           xFract="0.74948104"
                           y3="4.12501"
                           yFract="0.48874526"
                           z3="6.26632"
                           zFract="0.2820126"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20988"
                           xFract="0.49880095"
                           y3="4.24298"
                           yFract="0.50272275"
                           z3="4.22087"
                           zFract="0.18995815"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30764"
                           xFract="0.51038389"
                           y3="4.22189"
                           yFract="0.50022393"
                           z3="8.51565"
                           zFract="0.38324257"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28613"
                           xFract="0.74480213"
                           y3="6.24177"
                           yFract="0.73954621"
                           z3="4.25184"
                           zFract="0.19135194"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37395"
                           xFract="0.75520735"
                           y3="6.17182"
                           yFract="0.73125829"
                           z3="8.47997"
                           zFract="0.38163681"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a68" order="S"/>
                     <bond atomRefs2="a23 a48" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a61" order="S"/>
                     <bond atomRefs2="a31 a68" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.39257"
                           xFract="0.99438033"
                           y3="8.4274"
                           yFract="0.99850711"
                           z3="9.54473"
                           zFract="0.42955581"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32764"
                           xFract="0.74972038"
                           y3="4.21123"
                           yFract="0.4989609"
                           z3="4.21027"
                           zFract="0.1894811"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.00262"
                           xFract="0.00031043"
                           y3="0.01347"
                           yFract="0.00159597"
                           z3="6.29474"
                           zFract="0.28329163"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.35836"
                           xFract="0.75336019"
                           y3="4.20676"
                           yFract="0.49843128"
                           z3="8.5037"
                           zFract="0.38270477"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10889"
                           xFract="0.24986848"
                           y3="4.21743"
                           yFract="0.4996955"
                           z3="4.21838"
                           zFract="0.18984608"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25358"
                           xFract="0.50397867"
                           y3="6.32211"
                           yFract="0.74906517"
                           z3="8.47552"
                           zFract="0.38143654"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12245"
                           xFract="0.25147512"
                           y3="8.43704"
                           yFract="0.99964929"
                           z3="4.22031"
                           zFract="0.18993294"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25917"
                           xFract="0.504641"
                           y3="2.11854"
                           yFract="0.25101185"
                           z3="8.53159"
                           zFract="0.38395995"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07473"
                           xFract="0.24582109"
                           y3="2.12211"
                           yFract="0.25143483"
                           z3="6.4112"
                           zFract="0.28853285"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22124"
                           xFract="0.50014692"
                           y3="6.31651"
                           yFract="0.74840166"
                           z3="4.24237"
                           zFract="0.19092574"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42642"
                           xFract="0.998391"
                           y3="4.22164"
                           yFract="0.50019431"
                           z3="6.39339"
                           zFract="0.28773132"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08205"
                           xFract="0.24668839"
                           y3="4.20771"
                           yFract="0.49854384"
                           z3="8.66522"
                           zFract="0.3899739"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.43616"
                           xFract="0.99954502"
                           y3="6.23375"
                           yFract="0.73859597"
                           z3="8.64537"
                           zFract="0.38908056"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34935"
                           xFract="0.75229265"
                           y3="6.3142"
                           yFract="0.74812796"
                           z3="6.37677"
                           zFract="0.28698335"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37608"
                           xFract="0.75545972"
                           y3="2.12305"
                           yFract="0.25154621"
                           z3="6.42963"
                           zFract="0.28936229"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21239"
                           xFract="0.49909834"
                           y3="8.4395"
                           yFract="0.99994076"
                           z3="6.3998"
                           zFract="0.2880198"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00087"
                           xFract="0.00010308"
                           y3="2.2127"
                           yFract="0.26216825"
                           z3="8.67775"
                           zFract="0.3905378"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.4366"
                           xFract="0.99959716"
                           y3="2.12963"
                           yFract="0.25232583"
                           z3="4.2501"
                           zFract="0.19127363"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05341"
                           xFract="0.24329502"
                           y3="6.29542"
                           yFract="0.74590284"
                           z3="6.44002"
                           zFract="0.28982988"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00956"
                           xFract="0.0011327"
                           y3="6.30914"
                           yFract="0.74752844"
                           z3="4.21376"
                           zFract="0.18963816"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23096"
                           xFract="0.50129858"
                           y3="2.10844"
                           yFract="0.24981517"
                           z3="4.28027"
                           zFract="0.19263141"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.26384"
                           xFract="0.74216114"
                           y3="0.03861"
                           yFract="0.00457464"
                           z3="8.48185"
                           zFract="0.38172142"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.18476"
                           xFract="0.25885782"
                           y3="0.00655"
                           yFract="0.00077607"
                           z3="8.50754"
                           zFract="0.38287759"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20044"
                           xFract="0.49768246"
                           y3="4.20373"
                           yFract="0.49807227"
                           z3="6.40331"
                           zFract="0.28817777"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32335"
                           xFract="0.74921209"
                           y3="0.01088"
                           yFract="0.0012891"
                           z3="4.23882"
                           zFract="0.19076598"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02572"
                           xFract="0.00304739"
                           y3="2.08252"
                           yFract="0.24674408"
                           z3="6.31977"
                           zFract="0.28441809"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.0222"
                           xFract="0.23959716"
                           y3="0.00546"
                           yFract="0.00064692"
                           z3="6.37311"
                           zFract="0.28681863"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01728"
                           xFract="0.00204739"
                           y3="0.00434"
                           yFract="0.00051422"
                           z3="4.2219"
                           zFract="0.1900045"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36963"
                           xFract="0.99166232"
                           y3="8.42116"
                           yFract="0.99776777"
                           z3="8.59348"
                           zFract="0.38674527"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14243"
                           xFract="0.25384242"
                           y3="2.10028"
                           yFract="0.24884834"
                           z3="4.25189"
                           zFract="0.19135419"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10631"
                           xFract="0.2495628"
                           y3="2.07581"
                           yFract="0.24594905"
                           z3="8.56253"
                           zFract="0.38535239"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.18736"
                           xFract="0.4961327"
                           y3="2.01383"
                           yFract="0.23860545"
                           z3="6.45701"
                           zFract="0.29059451"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.43428"
                           xFract="0.76235545"
                           y3="0.09278"
                           yFract="0.01099289"
                           z3="6.38537"
                           zFract="0.28737039"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21576"
                           xFract="0.49949763"
                           y3="8.39954"
                           yFract="0.99520616"
                           z3="4.14508"
                           zFract="0.18654725"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34387"
                           xFract="0.51467654"
                           y3="8.42993"
                           yFract="0.99880687"
                           z3="8.73421"
                           zFract="0.39307876"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30696"
                           xFract="0.74727014"
                           y3="2.19156"
                           yFract="0.25966351"
                           z3="4.13292"
                           zFract="0.1860"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37594"
                           xFract="0.75544313"
                           y3="2.25277"
                           yFract="0.26691588"
                           z3="8.70917"
                           zFract="0.39195185"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40383"
                           xFract="0.99571445"
                           y3="6.37785"
                           yFract="0.75566943"
                           z3="6.28301"
                           zFract="0.28276373"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0949"
                           xFract="0.2482109"
                           y3="4.20964"
                           yFract="0.49877251"
                           z3="6.27199"
                           zFract="0.28226778"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00405"
                           xFract="0.00047986"
                           y3="4.21634"
                           yFract="0.49956635"
                           z3="4.26665"
                           zFract="0.19201845"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37121"
                           xFract="0.99184953"
                           y3="4.23605"
                           yFract="0.50190166"
                           z3="8.50163"
                           zFract="0.38261161"/>
                     <atom elementType="O"
                           id="a69"
                           x3="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="6.32781"
                           yFract="0.74974052"
                           z3="4.18534"
                           zFract="0.18835914"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11104"
                           xFract="0.25012322"
                           y3="6.3616"
                           yFract="0.75374408"
                           z3="8.59154"
                           zFract="0.38665797"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24115"
                           xFract="0.50250592"
                           y3="6.41955"
                           yFract="0.76061019"
                           z3="6.38573"
                           zFract="0.28738659"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32538"
                           xFract="0.74945261"
                           y3="4.1251"
                           yFract="0.48875592"
                           z3="6.26676"
                           zFract="0.2820324"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20975"
                           xFract="0.49878555"
                           y3="4.24315"
                           yFract="0.50274289"
                           z3="4.22232"
                           zFract="0.1900234"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30723"
                           xFract="0.51033531"
                           y3="4.22172"
                           yFract="0.50020379"
                           z3="8.51685"
                           zFract="0.38329658"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28662"
                           xFract="0.74486019"
                           y3="6.24222"
                           yFract="0.73959953"
                           z3="4.25173"
                           zFract="0.19134698"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.37033"
                           xFract="0.75477844"
                           y3="6.18059"
                           yFract="0.73229739"
                           z3="8.48402"
                           zFract="0.38181908"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a68" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.39773"
                           xFract="0.99499171"
                           y3="8.42847"
                           yFract="0.99863389"
                           z3="9.58051"
                           zFract="0.43116607"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32748"
                           xFract="0.74970142"
                           y3="4.2113"
                           yFract="0.49896919"
                           z3="4.21057"
                           zFract="0.1894946"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.00518"
                           xFract="0.00061374"
                           y3="0.0136"
                           yFract="0.00161137"
                           z3="6.26306"
                           zFract="0.28186589"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.36101"
                           xFract="0.75367417"
                           y3="4.20646"
                           yFract="0.49839573"
                           z3="8.50553"
                           zFract="0.38278713"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10815"
                           xFract="0.24978081"
                           y3="4.21725"
                           yFract="0.49967417"
                           z3="4.21671"
                           zFract="0.18977093"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25482"
                           xFract="0.50412559"
                           y3="6.32085"
                           yFract="0.74891588"
                           z3="8.47479"
                           zFract="0.38140369"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12447"
                           xFract="0.25171445"
                           y3="8.4372"
                           yFract="0.99966825"
                           z3="4.21938"
                           zFract="0.18989109"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26048"
                           xFract="0.50479621"
                           y3="2.12008"
                           yFract="0.25119431"
                           z3="8.53058"
                           zFract="0.38391449"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07559"
                           xFract="0.24592299"
                           y3="2.12238"
                           yFract="0.25146682"
                           z3="6.40837"
                           zFract="0.28840549"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22135"
                           xFract="0.50015995"
                           y3="6.31695"
                           yFract="0.74845379"
                           z3="4.24131"
                           zFract="0.19087804"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42573"
                           xFract="0.99830924"
                           y3="4.22132"
                           yFract="0.5001564"
                           z3="6.39167"
                           zFract="0.28765392"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08098"
                           xFract="0.24656161"
                           y3="4.2082"
                           yFract="0.4986019"
                           z3="8.66529"
                           zFract="0.38997705"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.43817"
                           xFract="0.99978318"
                           y3="6.20778"
                           yFract="0.73551896"
                           z3="8.64165"
                           zFract="0.38891314"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34853"
                           xFract="0.7521955"
                           y3="6.31363"
                           yFract="0.74806043"
                           z3="6.37505"
                           zFract="0.28690594"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37523"
                           xFract="0.755359"
                           y3="2.12382"
                           yFract="0.25163744"
                           z3="6.42862"
                           zFract="0.28931683"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21215"
                           xFract="0.49906991"
                           y3="8.43939"
                           yFract="0.99992773"
                           z3="6.3981"
                           zFract="0.28794329"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00265"
                           xFract="0.00031398"
                           y3="2.23771"
                           yFract="0.26513152"
                           z3="8.67499"
                           zFract="0.39041359"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43689"
                           xFract="0.99963152"
                           y3="2.13166"
                           yFract="0.25256635"
                           z3="4.2484"
                           zFract="0.19119712"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05436"
                           xFract="0.24340758"
                           y3="6.29526"
                           yFract="0.74588389"
                           z3="6.43701"
                           zFract="0.28969442"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00967"
                           xFract="0.00114573"
                           y3="6.30711"
                           yFract="0.74728791"
                           z3="4.21177"
                           zFract="0.1895486"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23105"
                           xFract="0.50130924"
                           y3="2.10791"
                           yFract="0.24975237"
                           z3="4.27922"
                           zFract="0.19258416"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.23368"
                           xFract="0.73858768"
                           y3="0.04044"
                           yFract="0.00479147"
                           z3="8.46618"
                           zFract="0.3810162"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21424"
                           xFract="0.26235071"
                           y3="0.00641"
                           yFract="0.00075948"
                           z3="8.49579"
                           zFract="0.38234878"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20083"
                           xFract="0.49772867"
                           y3="4.20373"
                           yFract="0.49807227"
                           z3="6.4021"
                           zFract="0.28812331"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32151"
                           xFract="0.74899408"
                           y3="0.01083"
                           yFract="0.00128318"
                           z3="4.23746"
                           zFract="0.19070477"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02667"
                           xFract="0.00315995"
                           y3="2.07902"
                           yFract="0.24632938"
                           z3="6.32269"
                           zFract="0.2845495"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02226"
                           xFract="0.23960427"
                           y3="0.00516"
                           yFract="0.00061137"
                           z3="6.3780"
                           zFract="0.2870387"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01721"
                           xFract="0.0020391"
                           y3="0.00427"
                           yFract="0.00050592"
                           z3="4.2245"
                           zFract="0.19012151"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.36468"
                           xFract="0.99107583"
                           y3="8.41961"
                           yFract="0.99758412"
                           z3="8.6012"
                           zFract="0.38709271"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14199"
                           xFract="0.25379028"
                           y3="2.09956"
                           yFract="0.24876303"
                           z3="4.25297"
                           zFract="0.19140279"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10684"
                           xFract="0.24962559"
                           y3="2.06907"
                           yFract="0.24515047"
                           z3="8.56525"
                           zFract="0.3854748"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.18677"
                           xFract="0.4960628"
                           y3="2.01282"
                           yFract="0.23848578"
                           z3="6.4592"
                           zFract="0.29069307"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.43453"
                           xFract="0.76238507"
                           y3="0.09252"
                           yFract="0.01096209"
                           z3="6.39282"
                           zFract="0.28770567"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21605"
                           xFract="0.49953199"
                           y3="8.39951"
                           yFract="0.99520261"
                           z3="4.14557"
                           zFract="0.18656931"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34129"
                           xFract="0.51437085"
                           y3="8.42988"
                           yFract="0.99880095"
                           z3="8.73883"
                           zFract="0.39328668"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30723"
                           xFract="0.74730213"
                           y3="2.19097"
                           yFract="0.2595936"
                           z3="4.13345"
                           zFract="0.18602385"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37291"
                           xFract="0.75508412"
                           y3="2.24411"
                           yFract="0.26588981"
                           z3="8.71342"
                           zFract="0.39214311"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40497"
                           xFract="0.99584953"
                           y3="6.38201"
                           yFract="0.75616232"
                           z3="6.28598"
                           zFract="0.28289739"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09509"
                           xFract="0.24823341"
                           y3="4.20969"
                           yFract="0.49877844"
                           z3="6.27435"
                           zFract="0.28237399"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00503"
                           xFract="0.00059597"
                           y3="4.21658"
                           yFract="0.49959479"
                           z3="4.27186"
                           zFract="0.19225293"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37015"
                           xFract="0.99172393"
                           y3="4.23607"
                           yFract="0.50190403"
                           z3="8.50138"
                           zFract="0.38260036"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15733"
                           xFract="0.25560782"
                           y3="6.32835"
                           yFract="0.7498045"
                           z3="4.1866"
                           zFract="0.18841584"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11165"
                           xFract="0.2501955"
                           y3="6.36878"
                           yFract="0.75459479"
                           z3="8.59438"
                           zFract="0.38678578"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24013"
                           xFract="0.50238507"
                           y3="6.42061"
                           yFract="0.76073578"
                           z3="6.38684"
                           zFract="0.28743654"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32517"
                           xFract="0.74942773"
                           y3="4.12517"
                           yFract="0.48876422"
                           z3="6.26714"
                           zFract="0.2820495"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20964"
                           xFract="0.49877251"
                           y3="4.24329"
                           yFract="0.50275948"
                           z3="4.22355"
                           zFract="0.19007876"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30689"
                           xFract="0.51029502"
                           y3="4.22158"
                           yFract="0.5001872"
                           z3="8.51786"
                           zFract="0.38334203"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28702"
                           xFract="0.74490758"
                           y3="6.24259"
                           yFract="0.73964336"
                           z3="4.25164"
                           zFract="0.19134293"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3673"
                           xFract="0.75441943"
                           y3="6.18794"
                           yFract="0.73316825"
                           z3="8.48742"
                           zFract="0.3819721"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a68" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.40023"
                           xFract="0.99528791"
                           y3="8.42917"
                           yFract="0.99871682"
                           z3="9.59174"
                           zFract="0.43167147"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32748"
                           xFract="0.74970142"
                           y3="4.21139"
                           yFract="0.49897986"
                           z3="4.21067"
                           zFract="0.1894991"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.00559"
                           xFract="0.00066232"
                           y3="0.01376"
                           yFract="0.00163033"
                           z3="6.25777"
                           zFract="0.28162781"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.35794"
                           xFract="0.75331043"
                           y3="4.20586"
                           yFract="0.49832464"
                           z3="8.50635"
                           zFract="0.38282403"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10802"
                           xFract="0.2497654"
                           y3="4.21724"
                           yFract="0.49967299"
                           z3="4.21688"
                           zFract="0.18977858"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25492"
                           xFract="0.50413744"
                           y3="6.31758"
                           yFract="0.74852844"
                           z3="8.47547"
                           zFract="0.38143429"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12689"
                           xFract="0.25200118"
                           y3="8.43722"
                           yFract="0.99967062"
                           z3="4.21864"
                           zFract="0.18985779"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26035"
                           xFract="0.50478081"
                           y3="2.12374"
                           yFract="0.25162796"
                           z3="8.53145"
                           zFract="0.38395365"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07584"
                           xFract="0.24595261"
                           y3="2.12255"
                           yFract="0.25148697"
                           z3="6.40877"
                           zFract="0.28842349"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22148"
                           xFract="0.50017536"
                           y3="6.31705"
                           yFract="0.74846564"
                           z3="4.24079"
                           zFract="0.19085464"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42564"
                           xFract="0.99829858"
                           y3="4.22112"
                           yFract="0.5001327"
                           z3="6.38979"
                           zFract="0.28756931"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08221"
                           xFract="0.24670735"
                           y3="4.20837"
                           yFract="0.49862204"
                           z3="8.66552"
                           zFract="0.3899874"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="8.43983"
                           xFract="0.99997986"
                           y3="6.20383"
                           yFract="0.73505095"
                           z3="8.64097"
                           zFract="0.38888254"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3484"
                           xFract="0.75218009"
                           y3="6.31343"
                           yFract="0.74803673"
                           z3="6.37578"
                           zFract="0.28693879"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37532"
                           xFract="0.75536967"
                           y3="2.12415"
                           yFract="0.25167654"
                           z3="6.42914"
                           zFract="0.28934023"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21173"
                           xFract="0.49902014"
                           y3="8.43944"
                           yFract="0.99993365"
                           z3="6.3952"
                           zFract="0.28781278"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00413"
                           xFract="0.00048934"
                           y3="2.24266"
                           yFract="0.26571801"
                           z3="8.67437"
                           zFract="0.39038569"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43695"
                           xFract="0.99963863"
                           y3="2.13432"
                           yFract="0.25288152"
                           z3="4.24762"
                           zFract="0.19116202"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05472"
                           xFract="0.24345024"
                           y3="6.29496"
                           yFract="0.74584834"
                           z3="6.43693"
                           zFract="0.28969082"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00956"
                           xFract="0.0011327"
                           y3="6.30451"
                           yFract="0.74697986"
                           z3="4.21102"
                           zFract="0.18951485"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23118"
                           xFract="0.50132464"
                           y3="2.10773"
                           yFract="0.24973104"
                           z3="4.27868"
                           zFract="0.19255986"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.23593"
                           xFract="0.73885427"
                           y3="0.04123"
                           yFract="0.00488507"
                           z3="8.4589"
                           zFract="0.38068857"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22415"
                           xFract="0.26352488"
                           y3="0.00622"
                           yFract="0.00073697"
                           z3="8.49089"
                           zFract="0.38212826"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20094"
                           xFract="0.49774171"
                           y3="4.20372"
                           yFract="0.49807109"
                           z3="6.40241"
                           zFract="0.28813726"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31906"
                           xFract="0.74870379"
                           y3="0.01076"
                           yFract="0.00127488"
                           z3="4.23687"
                           zFract="0.19067822"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02693"
                           xFract="0.00319076"
                           y3="2.07658"
                           yFract="0.24604028"
                           z3="6.32193"
                           zFract="0.2845153"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02277"
                           xFract="0.23966469"
                           y3="0.00527"
                           yFract="0.00062441"
                           z3="6.37564"
                           zFract="0.28693249"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01741"
                           xFract="0.0020628"
                           y3="0.0042"
                           yFract="0.00049763"
                           z3="4.22175"
                           zFract="0.18999775"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.35916"
                           xFract="0.9904218"
                           y3="8.41828"
                           yFract="0.99742654"
                           z3="8.61674"
                           zFract="0.38779208"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14168"
                           xFract="0.25375355"
                           y3="2.09873"
                           yFract="0.24866469"
                           z3="4.25357"
                           zFract="0.19142979"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10971"
                           xFract="0.24996564"
                           y3="2.06762"
                           yFract="0.24497867"
                           z3="8.56563"
                           zFract="0.3854919"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.18657"
                           xFract="0.4960391"
                           y3="2.01194"
                           yFract="0.23838152"
                           z3="6.45949"
                           zFract="0.29070612"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.43529"
                           xFract="0.76247512"
                           y3="0.09246"
                           yFract="0.01095498"
                           z3="6.39168"
                           zFract="0.28765437"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21622"
                           xFract="0.49955213"
                           y3="8.39954"
                           yFract="0.99520616"
                           z3="4.1458"
                           zFract="0.18657966"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33069"
                           xFract="0.51311493"
                           y3="8.42951"
                           yFract="0.99875711"
                           z3="8.74387"
                           zFract="0.3935135"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30765"
                           xFract="0.7473519"
                           y3="2.1899"
                           yFract="0.25946682"
                           z3="4.13382"
                           zFract="0.1860405"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36988"
                           xFract="0.75472512"
                           y3="2.24251"
                           yFract="0.26570024"
                           z3="8.71507"
                           zFract="0.39221737"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40529"
                           xFract="0.99588744"
                           y3="6.38487"
                           yFract="0.75650118"
                           z3="6.28516"
                           zFract="0.28286049"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09493"
                           xFract="0.24821445"
                           y3="4.20959"
                           yFract="0.49876659"
                           z3="6.27519"
                           zFract="0.28241179"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00534"
                           xFract="0.0006327"
                           y3="4.21669"
                           yFract="0.49960782"
                           z3="4.27519"
                           zFract="0.19240279"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36953"
                           xFract="0.99165047"
                           y3="4.23502"
                           yFract="0.50177962"
                           z3="8.49981"
                           zFract="0.3825297"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1571"
                           xFract="0.25558057"
                           y3="6.32904"
                           yFract="0.74988626"
                           z3="4.1872"
                           zFract="0.18844284"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.11462"
                           xFract="0.25054739"
                           y3="6.37068"
                           yFract="0.75481991"
                           z3="8.59457"
                           zFract="0.38679433"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23975"
                           xFract="0.50234005"
                           y3="6.4214"
                           yFract="0.76082938"
                           z3="6.38677"
                           zFract="0.28743339"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32539"
                           xFract="0.74945379"
                           y3="4.12534"
                           yFract="0.48878436"
                           z3="6.26802"
                           zFract="0.28208911"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20951"
                           xFract="0.49875711"
                           y3="4.24323"
                           yFract="0.50275237"
                           z3="4.22429"
                           zFract="0.19011206"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30699"
                           xFract="0.51030687"
                           y3="4.2216"
                           yFract="0.50018957"
                           z3="8.51776"
                           zFract="0.38333753"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28743"
                           xFract="0.74495616"
                           y3="6.24341"
                           yFract="0.73974052"
                           z3="4.25168"
                           zFract="0.19134473"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.36433"
                           xFract="0.75406754"
                           y3="6.18916"
                           yFract="0.7333128"
                           z3="8.4879"
                           zFract="0.3819937"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a68" order="S"/>
                     <bond atomRefs2="a23 a81" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.40774"
                           xFract="0.99617773"
                           y3="8.43127"
                           yFract="0.99896564"
                           z3="9.62543"
                           zFract="0.43318767"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32747"
                           xFract="0.74970024"
                           y3="4.21165"
                           yFract="0.49901066"
                           z3="4.21095"
                           zFract="0.1895117"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.0068"
                           xFract="0.00080569"
                           y3="0.01426"
                           yFract="0.00168957"
                           z3="6.24189"
                           zFract="0.28091314"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34874"
                           xFract="0.75222038"
                           y3="4.20405"
                           yFract="0.49811019"
                           z3="8.5088"
                           zFract="0.38293429"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1076"
                           xFract="0.24971564"
                           y3="4.2172"
                           yFract="0.49966825"
                           z3="4.21737"
                           zFract="0.18980063"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25522"
                           xFract="0.50417299"
                           y3="6.3078"
                           yFract="0.74736967"
                           z3="8.47748"
                           zFract="0.38152475"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13416"
                           xFract="0.25286256"
                           y3="8.43728"
                           yFract="0.99967773"
                           z3="4.21644"
                           zFract="0.18975878"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25995"
                           xFract="0.50473341"
                           y3="2.13474"
                           yFract="0.25293128"
                           z3="8.53406"
                           zFract="0.38407111"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.0766"
                           xFract="0.24604265"
                           y3="2.12306"
                           yFract="0.25154739"
                           z3="6.40997"
                           zFract="0.2884775"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22186"
                           xFract="0.50022038"
                           y3="6.31736"
                           yFract="0.74850237"
                           z3="4.23924"
                           zFract="0.19078488"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42534"
                           xFract="0.99826303"
                           y3="4.22049"
                           yFract="0.50005806"
                           z3="6.38412"
                           zFract="0.28731413"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08588"
                           xFract="0.24714218"
                           y3="4.20889"
                           yFract="0.49868365"
                           z3="8.66621"
                           zFract="0.39001845"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00481"
                           xFract="0.00056991"
                           y3="6.1920"
                           yFract="0.73364929"
                           z3="8.63894"
                           zFract="0.38879118"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34801"
                           xFract="0.75213389"
                           y3="6.31283"
                           yFract="0.74796564"
                           z3="6.37797"
                           zFract="0.28703735"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37557"
                           xFract="0.75539929"
                           y3="2.12512"
                           yFract="0.25179147"
                           z3="6.43069"
                           zFract="0.28940999"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21047"
                           xFract="0.49887085"
                           y3="8.43956"
                           yFract="0.99994787"
                           z3="6.38649"
                           zFract="0.28742079"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00855"
                           xFract="0.00101303"
                           y3="2.25749"
                           yFract="0.26747512"
                           z3="8.6725"
                           zFract="0.39030153"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43714"
                           xFract="0.99966114"
                           y3="2.1423"
                           yFract="0.25382701"
                           z3="4.24527"
                           zFract="0.19105626"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05581"
                           xFract="0.24357938"
                           y3="6.29406"
                           yFract="0.74574171"
                           z3="6.43668"
                           zFract="0.28967957"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00922"
                           xFract="0.00109242"
                           y3="6.29673"
                           yFract="0.74605806"
                           z3="4.20876"
                           zFract="0.18941314"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23157"
                           xFract="0.50137085"
                           y3="2.10721"
                           yFract="0.24966943"
                           z3="4.27705"
                           zFract="0.1924865"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.24269"
                           xFract="0.73965521"
                           y3="0.04358"
                           yFract="0.00516351"
                           z3="8.43707"
                           zFract="0.37970612"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.25388"
                           xFract="0.26704739"
                           y3="0.00565"
                           yFract="0.00066943"
                           z3="8.47617"
                           zFract="0.3814658"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20128"
                           xFract="0.49778199"
                           y3="4.20369"
                           yFract="0.49806754"
                           z3="6.40336"
                           zFract="0.28818002"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31172"
                           xFract="0.74783412"
                           y3="0.01057"
                           yFract="0.00125237"
                           z3="4.2351"
                           zFract="0.19059856"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02769"
                           xFract="0.00328081"
                           y3="2.06927"
                           yFract="0.24517417"
                           z3="6.31965"
                           zFract="0.28441269"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.0243"
                           xFract="0.23984597"
                           y3="0.00559"
                           yFract="0.00066232"
                           z3="6.36854"
                           zFract="0.28661296"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01801"
                           xFract="0.00213389"
                           y3="0.00399"
                           yFract="0.00047275"
                           z3="4.21348"
                           zFract="0.18962556"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3426"
                           xFract="0.98845972"
                           y3="8.41426"
                           yFract="0.99695024"
                           z3="8.66337"
                           zFract="0.38989064"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14076"
                           xFract="0.25364455"
                           y3="2.09625"
                           yFract="0.24837085"
                           z3="4.25535"
                           zFract="0.1915099"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1183"
                           xFract="0.25098341"
                           y3="2.06328"
                           yFract="0.24446445"
                           z3="8.56678"
                           zFract="0.38554365"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.18598"
                           xFract="0.49596919"
                           y3="2.00927"
                           yFract="0.23806517"
                           z3="6.46034"
                           zFract="0.29074437"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.43758"
                           xFract="0.76274645"
                           y3="0.09227"
                           yFract="0.01093246"
                           z3="6.38827"
                           zFract="0.2875009"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21675"
                           xFract="0.49961493"
                           y3="8.39964"
                           yFract="0.99521801"
                           z3="4.14648"
                           zFract="0.18661026"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29888"
                           xFract="0.50934597"
                           y3="8.4284"
                           yFract="0.99862559"
                           z3="8.7590"
                           zFract="0.39419442"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30892"
                           xFract="0.74750237"
                           y3="2.18667"
                           yFract="0.25908412"
                           z3="4.13491"
                           zFract="0.18608956"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36079"
                           xFract="0.7536481"
                           y3="2.23771"
                           yFract="0.26513152"
                           z3="8.7200"
                           zFract="0.39243924"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40626"
                           xFract="0.99600237"
                           y3="6.39345"
                           yFract="0.75751777"
                           z3="6.2827"
                           zFract="0.28274977"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09445"
                           xFract="0.24815758"
                           y3="4.2093"
                           yFract="0.49873223"
                           z3="6.27771"
                           zFract="0.2825252"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00626"
                           xFract="0.00074171"
                           y3="4.21702"
                           yFract="0.49964692"
                           z3="4.2852"
                           zFract="0.19285329"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36767"
                           xFract="0.99143009"
                           y3="4.23186"
                           yFract="0.50140521"
                           z3="8.49511"
                           zFract="0.38231818"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1564"
                           xFract="0.25549763"
                           y3="6.33114"
                           yFract="0.75013507"
                           z3="4.18899"
                           zFract="0.1885234"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12352"
                           xFract="0.2516019"
                           y3="6.37635"
                           yFract="0.75549171"
                           z3="8.59514"
                           zFract="0.38681998"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23861"
                           xFract="0.50220498"
                           y3="6.42376"
                           yFract="0.761109"
                           z3="6.38654"
                           zFract="0.28742304"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32604"
                           xFract="0.74953081"
                           y3="4.12585"
                           yFract="0.48884479"
                           z3="6.27068"
                           zFract="0.28220882"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20912"
                           xFract="0.4987109"
                           y3="4.24307"
                           yFract="0.50273341"
                           z3="4.22651"
                           zFract="0.19021197"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30731"
                           xFract="0.51034479"
                           y3="4.22165"
                           yFract="0.5001955"
                           z3="8.51747"
                           zFract="0.38332448"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28866"
                           xFract="0.7451019"
                           y3="6.24586"
                           yFract="0.74003081"
                           z3="4.25181"
                           zFract="0.19135059"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35542"
                           xFract="0.75301185"
                           y3="6.19282"
                           yFract="0.73374645"
                           z3="8.48934"
                           zFract="0.38205851"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a39" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a67" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.42274"
                           xFract="0.99795498"
                           y3="8.43545"
                           yFract="0.9994609"
                           z3="9.69282"
                           zFract="0.43622052"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32746"
                           xFract="0.74969905"
                           y3="4.21217"
                           yFract="0.49907227"
                           z3="4.21152"
                           zFract="0.18953735"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.00923"
                           xFract="0.0010936"
                           y3="0.01524"
                           yFract="0.00180569"
                           z3="6.21013"
                           zFract="0.2794838"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33033"
                           xFract="0.7500391"
                           y3="4.20045"
                           yFract="0.49768365"
                           z3="8.5137"
                           zFract="0.38315482"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10678"
                           xFract="0.24961848"
                           y3="4.21714"
                           yFract="0.49966114"
                           z3="4.21834"
                           zFract="0.18984428"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25582"
                           xFract="0.50424408"
                           y3="6.28824"
                           yFract="0.74505213"
                           z3="8.48152"
                           zFract="0.38170657"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1487"
                           xFract="0.25458531"
                           y3="8.43741"
                           yFract="0.99969313"
                           z3="4.21203"
                           zFract="0.18956031"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25915"
                           xFract="0.50463863"
                           y3="2.15672"
                           yFract="0.25553555"
                           z3="8.53928"
                           zFract="0.38430603"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07812"
                           xFract="0.24622275"
                           y3="2.12407"
                           yFract="0.25166706"
                           z3="6.41238"
                           zFract="0.28858596"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22261"
                           xFract="0.50030924"
                           y3="6.31798"
                           yFract="0.74857583"
                           z3="4.23613"
                           zFract="0.19064491"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42475"
                           xFract="0.99819313"
                           y3="4.21924"
                           yFract="0.49990995"
                           z3="6.37279"
                           zFract="0.28680423"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09321"
                           xFract="0.24801066"
                           y3="4.20993"
                           yFract="0.49880687"
                           z3="8.6676"
                           zFract="0.39008101"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.01478"
                           xFract="0.00175118"
                           y3="6.16833"
                           yFract="0.73084479"
                           z3="8.63487"
                           zFract="0.38860801"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34722"
                           xFract="0.75204028"
                           y3="6.31163"
                           yFract="0.74782346"
                           z3="6.38235"
                           zFract="0.28723447"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37609"
                           xFract="0.7554609"
                           y3="2.12706"
                           yFract="0.25202133"
                           z3="6.4338"
                           zFract="0.28954995"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.20795"
                           xFract="0.49857227"
                           y3="8.43982"
                           yFract="0.99997867"
                           z3="6.36908"
                           zFract="0.28663726"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01739"
                           xFract="0.00206043"
                           y3="2.28715"
                           yFract="0.27098934"
                           z3="8.66877"
                           zFract="0.39013366"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43753"
                           xFract="0.99970735"
                           y3="2.15826"
                           yFract="0.25571801"
                           z3="4.24059"
                           zFract="0.19084563"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05799"
                           xFract="0.24383768"
                           y3="6.29225"
                           yFract="0.74552725"
                           z3="6.43617"
                           zFract="0.28965662"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00854"
                           xFract="0.00101185"
                           y3="6.28116"
                           yFract="0.74421327"
                           z3="4.20426"
                           zFract="0.18921062"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23235"
                           xFract="0.50146327"
                           y3="2.10617"
                           yFract="0.24954621"
                           z3="4.27379"
                           zFract="0.19233978"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.25622"
                           xFract="0.74125829"
                           y3="0.04829"
                           yFract="0.00572156"
                           z3="8.3934"
                           zFract="0.37774077"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.31334"
                           xFract="0.27409242"
                           y3="0.00452"
                           yFract="0.00053555"
                           z3="8.44674"
                           zFract="0.38014131"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20196"
                           xFract="0.49786256"
                           y3="4.20363"
                           yFract="0.49806043"
                           z3="6.40525"
                           zFract="0.28826508"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.29703"
                           xFract="0.7460936"
                           y3="0.01019"
                           yFract="0.00120735"
                           z3="4.23156"
                           zFract="0.19043924"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02921"
                           xFract="0.0034609"
                           y3="2.05465"
                           yFract="0.24344194"
                           z3="6.31509"
                           zFract="0.28420747"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02737"
                           xFract="0.24020972"
                           y3="0.00624"
                           yFract="0.00073934"
                           z3="6.35433"
                           zFract="0.28597345"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01921"
                           xFract="0.00227607"
                           y3="0.00357"
                           yFract="0.00042299"
                           z3="4.19696"
                           zFract="0.18888209"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30946"
                           xFract="0.98453318"
                           y3="8.40623"
                           yFract="0.99599882"
                           z3="8.75663"
                           zFract="0.39408776"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1389"
                           xFract="0.25342417"
                           y3="2.09127"
                           yFract="0.24778081"
                           z3="4.25892"
                           zFract="0.19167057"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13547"
                           xFract="0.25301777"
                           y3="2.05459"
                           yFract="0.24343483"
                           z3="8.56906"
                           zFract="0.38564626"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1848"
                           xFract="0.49582938"
                           y3="2.00395"
                           yFract="0.23743483"
                           z3="6.46205"
                           zFract="0.29082133"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.44216"
                           xFract="0.7632891"
                           y3="0.0919"
                           yFract="0.01088863"
                           z3="6.38144"
                           zFract="0.28719352"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2178"
                           xFract="0.49973934"
                           y3="8.39984"
                           yFract="0.99524171"
                           z3="4.14784"
                           zFract="0.18667147"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.23527"
                           xFract="0.50180924"
                           y3="8.42618"
                           yFract="0.99836256"
                           z3="8.78926"
                           zFract="0.39555626"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31147"
                           xFract="0.7478045"
                           y3="2.18022"
                           yFract="0.25831991"
                           z3="4.1371"
                           zFract="0.18618812"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3426"
                           xFract="0.75149289"
                           y3="2.2281"
                           yFract="0.26399289"
                           z3="8.72988"
                           zFract="0.39288389"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40819"
                           xFract="0.99623104"
                           y3="6.41061"
                           yFract="0.75955095"
                           z3="6.27777"
                           zFract="0.2825279"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09349"
                           xFract="0.24804384"
                           y3="4.20872"
                           yFract="0.49866351"
                           z3="6.28277"
                           zFract="0.28275293"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0081"
                           xFract="0.00095972"
                           y3="4.21769"
                           yFract="0.4997263"
                           z3="4.3052"
                           zFract="0.19375338"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36396"
                           xFract="0.99099052"
                           y3="4.22555"
                           yFract="0.50065758"
                           z3="8.4857"
                           zFract="0.38189469"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15501"
                           xFract="0.25533294"
                           y3="6.33534"
                           yFract="0.7506327"
                           z3="4.19256"
                           zFract="0.18868407"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14131"
                           xFract="0.25370972"
                           y3="6.38771"
                           yFract="0.75683768"
                           z3="8.59627"
                           zFract="0.38687084"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23631"
                           xFract="0.50193246"
                           y3="6.42848"
                           yFract="0.76166825"
                           z3="6.38608"
                           zFract="0.28740234"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32734"
                           xFract="0.74968483"
                           y3="4.12686"
                           yFract="0.48896445"
                           z3="6.27598"
                           zFract="0.28244734"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20836"
                           xFract="0.49862085"
                           y3="4.24275"
                           yFract="0.5026955"
                           z3="4.23096"
                           zFract="0.19041224"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30794"
                           xFract="0.51041943"
                           y3="4.22176"
                           yFract="0.50020853"
                           z3="8.51689"
                           zFract="0.38329838"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29111"
                           xFract="0.74539218"
                           y3="6.25076"
                           yFract="0.74061137"
                           z3="4.25207"
                           zFract="0.19136229"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33759"
                           xFract="0.75089929"
                           y3="6.20015"
                           yFract="0.73461493"
                           z3="8.49222"
                           zFract="0.38218812"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a39" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a39" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.41162"
                           xFract="0.99663744"
                           y3="8.43235"
                           yFract="0.9990936"
                           z3="9.64289"
                           zFract="0.43397345"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32747"
                           xFract="0.74970024"
                           y3="4.21178"
                           yFract="0.49902607"
                           z3="4.2111"
                           zFract="0.18951845"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.00743"
                           xFract="0.00088033"
                           y3="0.01451"
                           yFract="0.00171919"
                           z3="6.23366"
                           zFract="0.28054275"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34397"
                           xFract="0.75165521"
                           y3="4.20312"
                           yFract="0.4980"
                           z3="8.51007"
                           zFract="0.38299145"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10739"
                           xFract="0.24969076"
                           y3="4.21719"
                           yFract="0.49966706"
                           z3="4.21762"
                           zFract="0.18981188"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25537"
                           xFract="0.50419076"
                           y3="6.30273"
                           yFract="0.74676896"
                           z3="8.47853"
                           zFract="0.38157201"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13793"
                           xFract="0.25330924"
                           y3="8.43732"
                           yFract="0.99968246"
                           z3="4.21529"
                           zFract="0.18970702"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25974"
                           xFract="0.50470853"
                           y3="2.14043"
                           yFract="0.25360545"
                           z3="8.53541"
                           zFract="0.38413186"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07699"
                           xFract="0.24608886"
                           y3="2.12332"
                           yFract="0.2515782"
                           z3="6.4106"
                           zFract="0.28850585"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22205"
                           xFract="0.50024289"
                           y3="6.31752"
                           yFract="0.74852133"
                           z3="4.23844"
                           zFract="0.19074887"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42519"
                           xFract="0.99824526"
                           y3="4.22017"
                           yFract="0.50002014"
                           z3="6.38118"
                           zFract="0.28718182"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08778"
                           xFract="0.2473673"
                           y3="4.20916"
                           yFract="0.49871564"
                           z3="8.66657"
                           zFract="0.39003465"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0074"
                           xFract="0.00087678"
                           y3="6.18587"
                           yFract="0.73292299"
                           z3="8.63789"
                           zFract="0.38874392"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3478"
                           xFract="0.752109"
                           y3="6.31252"
                           yFract="0.74792891"
                           z3="6.3791"
                           zFract="0.28708821"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37571"
                           xFract="0.75541588"
                           y3="2.12562"
                           yFract="0.25185071"
                           z3="6.4315"
                           zFract="0.28944644"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.20982"
                           xFract="0.49879384"
                           y3="8.43963"
                           yFract="0.99995616"
                           z3="6.38198"
                           zFract="0.28721782"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01084"
                           xFract="0.00128436"
                           y3="2.26517"
                           yFract="0.26838507"
                           z3="8.67153"
                           zFract="0.39025788"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43724"
                           xFract="0.99967299"
                           y3="2.14643"
                           yFract="0.25431635"
                           z3="4.24406"
                           zFract="0.1910018"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05637"
                           xFract="0.24364573"
                           y3="6.29359"
                           yFract="0.74568602"
                           z3="6.43655"
                           zFract="0.28967372"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00904"
                           xFract="0.00107109"
                           y3="6.2927"
                           yFract="0.74558057"
                           z3="4.2076"
                           zFract="0.18936094"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23177"
                           xFract="0.50139455"
                           y3="2.10694"
                           yFract="0.24963744"
                           z3="4.27621"
                           zFract="0.19244869"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.2462"
                           xFract="0.74007109"
                           y3="0.0448"
                           yFract="0.00530806"
                           z3="8.42576"
                           zFract="0.37919712"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.26928"
                           xFract="0.26887204"
                           y3="0.00536"
                           yFract="0.00063507"
                           z3="8.46855"
                           zFract="0.38112286"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20146"
                           xFract="0.49780332"
                           y3="4.20368"
                           yFract="0.49806635"
                           z3="6.40385"
                           zFract="0.28820207"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30792"
                           xFract="0.74738389"
                           y3="0.01047"
                           yFract="0.00124052"
                           z3="4.23418"
                           zFract="0.19055716"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           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="2.06548"
                           yFract="0.24472512"
                           z3="6.31847"
                           zFract="0.28435959"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02509"
                           xFract="0.23993957"
                           y3="0.00576"
                           yFract="0.00068246"
                           z3="6.36486"
                           zFract="0.28644734"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01832"
                           xFract="0.00217062"
                           y3="0.00388"
                           yFract="0.00045972"
                           z3="4.20921"
                           zFract="0.18943339"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.33401"
                           xFract="0.98744194"
                           y3="8.41218"
                           yFract="0.99670379"
                           z3="8.68753"
                           zFract="0.39097795"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14027"
                           xFract="0.25358649"
                           y3="2.09496"
                           yFract="0.24821801"
                           z3="4.25627"
                           zFract="0.19155131"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12275"
                           xFract="0.25151066"
                           y3="2.06103"
                           yFract="0.24419787"
                           z3="8.56737"
                           zFract="0.38557021"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.18568"
                           xFract="0.49593365"
                           y3="2.00789"
                           yFract="0.23790166"
                           z3="6.46079"
                           zFract="0.29076463"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.43877"
                           xFract="0.76288744"
                           y3="0.09218"
                           yFract="0.0109218"
                           z3="6.3865"
                           zFract="0.28742124"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21702"
                           xFract="0.49964692"
                           y3="8.39969"
                           yFract="0.99522393"
                           z3="4.14683"
                           zFract="0.18662601"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28241"
                           xFract="0.50739455"
                           y3="8.42782"
                           yFract="0.99855687"
                           z3="8.76684"
                           zFract="0.39454725"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.30958"
                           xFract="0.74758057"
                           y3="2.1850"
                           yFract="0.25888626"
                           z3="4.13548"
                           zFract="0.18611521"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35608"
                           xFract="0.75309005"
                           y3="2.23522"
                           yFract="0.26483649"
                           z3="8.72256"
                           zFract="0.39255446"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40676"
                           xFract="0.99606161"
                           y3="6.39789"
                           yFract="0.75804384"
                           z3="6.28142"
                           zFract="0.28269217"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09421"
                           xFract="0.24812915"
                           y3="4.20915"
                           yFract="0.49871445"
                           z3="6.27902"
                           zFract="0.28258416"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00673"
                           xFract="0.00079739"
                           y3="4.21719"
                           yFract="0.49966706"
                           z3="4.29038"
                           zFract="0.19308641"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36671"
                           xFract="0.99131635"
                           y3="4.23023"
                           yFract="0.50121209"
                           z3="8.49267"
                           zFract="0.38220837"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15604"
                           xFract="0.25545498"
                           y3="6.33223"
                           yFract="0.75026422"
                           z3="4.18991"
                           zFract="0.18856481"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12813"
                           xFract="0.2521481"
                           y3="6.3793"
                           yFract="0.75584123"
                           z3="8.59543"
                           zFract="0.38683303"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23801"
                           xFract="0.50213389"
                           y3="6.42498"
                           yFract="0.76125355"
                           z3="6.38642"
                           zFract="0.28741764"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32638"
                           xFract="0.74957109"
                           y3="4.12611"
                           yFract="0.48887559"
                           z3="6.27205"
                           zFract="0.28227048"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20893"
                           xFract="0.49868839"
                           y3="4.24299"
                           yFract="0.50272393"
                           z3="4.22766"
                           zFract="0.19026373"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30747"
                           xFract="0.51036374"
                           y3="4.22168"
                           yFract="0.50019905"
                           z3="8.51732"
                           zFract="0.38331773"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28929"
                           xFract="0.74517654"
                           y3="6.24713"
                           yFract="0.74018128"
                           z3="4.25188"
                           zFract="0.19135374"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3508"
                           xFract="0.75246445"
                           y3="6.19472"
                           yFract="0.73397156"
                           z3="8.49009"
                           zFract="0.38209226"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a39" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.41748"
                           xFract="0.99733175"
                           y3="8.43432"
                           yFract="0.99932701"
                           z3="9.68315"
                           zFract="0.43578533"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32682"
                           xFract="0.74962322"
                           y3="4.21168"
                           yFract="0.49901422"
                           z3="4.21159"
                           zFract="0.1895405"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.00935"
                           xFract="0.00110782"
                           y3="0.01475"
                           yFract="0.00174763"
                           z3="6.23421"
                           zFract="0.28056751"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3378"
                           xFract="0.75092417"
                           y3="4.20204"
                           yFract="0.49787204"
                           z3="8.5103"
                           zFract="0.3830018"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1083"
                           xFract="0.24979858"
                           y3="4.21713"
                           yFract="0.49965995"
                           z3="4.21918"
                           zFract="0.18988209"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25453"
                           xFract="0.50409123"
                           y3="6.29913"
                           yFract="0.74634242"
                           z3="8.48161"
                           zFract="0.38171062"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14026"
                           xFract="0.25358531"
                           y3="8.43741"
                           yFract="0.99969313"
                           z3="4.21361"
                           zFract="0.18963141"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25818"
                           xFract="0.5045237"
                           y3="2.14464"
                           yFract="0.25410427"
                           z3="8.53937"
                           zFract="0.38431008"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07743"
                           xFract="0.246141"
                           y3="2.12307"
                           yFract="0.25154858"
                           z3="6.41325"
                           zFract="0.28862511"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22229"
                           xFract="0.50027133"
                           y3="6.31672"
                           yFract="0.74842654"
                           z3="4.2380"
                           zFract="0.19072907"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42517"
                           xFract="0.99824289"
                           y3="4.21994"
                           yFract="0.49999289"
                           z3="6.3789"
                           zFract="0.28707921"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09084"
                           xFract="0.24772986"
                           y3="4.20944"
                           yFract="0.49874882"
                           z3="8.66695"
                           zFract="0.39005176"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.01068"
                           xFract="0.0012654"
                           y3="6.19037"
                           yFract="0.73345616"
                           z3="8.63883"
                           zFract="0.38878623"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34764"
                           xFract="0.75209005"
                           y3="6.31195"
                           yFract="0.74786137"
                           z3="6.38173"
                           zFract="0.28720657"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37616"
                           xFract="0.75546919"
                           y3="2.12652"
                           yFract="0.25195735"
                           z3="6.4333"
                           zFract="0.28952745"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.20928"
                           xFract="0.49872986"
                           y3="8.4398"
                           yFract="0.9999763"
                           z3="6.37728"
                           zFract="0.2870063"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0141"
                           xFract="0.00167062"
                           y3="2.26216"
                           yFract="0.26802844"
                           z3="8.67215"
                           zFract="0.39028578"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43754"
                           xFract="0.99970853"
                           y3="2.14928"
                           yFract="0.25465403"
                           z3="4.24222"
                           zFract="0.19091899"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0569"
                           xFract="0.24370853"
                           y3="6.2933"
                           yFract="0.74565166"
                           z3="6.43833"
                           zFract="0.28975383"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00898"
                           xFract="0.00106398"
                           y3="6.28977"
                           yFract="0.74523341"
                           z3="4.20601"
                           zFract="0.18928938"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23186"
                           xFract="0.50140521"
                           y3="2.10775"
                           yFract="0.24973341"
                           z3="4.27567"
                           zFract="0.19242439"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.25086"
                           xFract="0.74062322"
                           y3="0.04557"
                           yFract="0.00539929"
                           z3="8.42029"
                           zFract="0.37895095"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.2772"
                           xFract="0.26981043"
                           y3="0.00517"
                           yFract="0.00061256"
                           z3="8.46303"
                           zFract="0.38087444"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20137"
                           xFract="0.49779265"
                           y3="4.20357"
                           yFract="0.49805332"
                           z3="6.40385"
                           zFract="0.28820207"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3052"
                           xFract="0.74706161"
                           y3="0.01032"
                           yFract="0.00122275"
                           z3="4.23251"
                           zFract="0.190482"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02791"
                           xFract="0.00330687"
                           y3="2.0604"
                           yFract="0.24412322"
                           z3="6.31633"
                           zFract="0.28426328"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02455"
                           xFract="0.23987559"
                           y3="0.00614"
                           yFract="0.00072749"
                           z3="6.35615"
                           zFract="0.28605536"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01839"
                           xFract="0.00217891"
                           y3="0.00398"
                           yFract="0.00047156"
                           z3="4.20093"
                           zFract="0.18906076"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32249"
                           xFract="0.98607701"
                           y3="8.40849"
                           yFract="0.99626659"
                           z3="8.70017"
                           zFract="0.3915468"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14035"
                           xFract="0.25359597"
                           y3="2.09439"
                           yFract="0.24815047"
                           z3="4.25666"
                           zFract="0.19156886"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12777"
                           xFract="0.25210545"
                           y3="2.06381"
                           yFract="0.24452725"
                           z3="8.56588"
                           zFract="0.38550315"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.18627"
                           xFract="0.49600355"
                           y3="2.00678"
                           yFract="0.23777014"
                           z3="6.45996"
                           zFract="0.29072727"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.44077"
                           xFract="0.76312441"
                           y3="0.09222"
                           yFract="0.01092654"
                           z3="6.3791"
                           zFract="0.28708821"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21726"
                           xFract="0.49967536"
                           y3="8.39951"
                           yFract="0.99520261"
                           z3="4.14649"
                           zFract="0.18661071"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27675"
                           xFract="0.50672393"
                           y3="8.42742"
                           yFract="0.99850948"
                           z3="8.77492"
                           zFract="0.39491089"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31015"
                           xFract="0.7476481"
                           y3="2.18322"
                           yFract="0.25867536"
                           z3="4.13602"
                           zFract="0.18613951"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34994"
                           xFract="0.75236256"
                           y3="2.23571"
                           yFract="0.26489455"
                           z3="8.72432"
                           zFract="0.39263366"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40657"
                           xFract="0.9960391"
                           y3="6.40376"
                           yFract="0.75873934"
                           z3="6.27902"
                           zFract="0.28258416"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09392"
                           xFract="0.24809479"
                           y3="4.20875"
                           yFract="0.49866706"
                           z3="6.27963"
                           zFract="0.28261161"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00672"
                           xFract="0.00079621"
                           y3="4.21748"
                           yFract="0.49970142"
                           z3="4.29659"
                           zFract="0.19336589"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36403"
                           xFract="0.99099882"
                           y3="4.22928"
                           yFract="0.50109953"
                           z3="8.48768"
                           zFract="0.3819838"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15626"
                           xFract="0.25548104"
                           y3="6.33273"
                           yFract="0.75032346"
                           z3="4.19021"
                           zFract="0.18857831"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13317"
                           xFract="0.25274526"
                           y3="6.37696"
                           yFract="0.75556398"
                           z3="8.59308"
                           zFract="0.38672727"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23813"
                           xFract="0.5021481"
                           y3="6.42582"
                           yFract="0.76135308"
                           z3="6.38518"
                           zFract="0.28736184"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32674"
                           xFract="0.74961374"
                           y3="4.12653"
                           yFract="0.48892536"
                           z3="6.2744"
                           zFract="0.28237624"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20874"
                           xFract="0.49866588"
                           y3="4.2428"
                           yFract="0.50270142"
                           z3="4.22905"
                           zFract="0.19032628"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30665"
                           xFract="0.51026659"
                           y3="4.22178"
                           yFract="0.5002109"
                           z3="8.51701"
                           zFract="0.38330378"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28966"
                           xFract="0.74522038"
                           y3="6.24862"
                           yFract="0.74035782"
                           z3="4.25224"
                           zFract="0.19136994"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34562"
                           xFract="0.75185071"
                           y3="6.19358"
                           yFract="0.73383649"
                           z3="8.48896"
                           zFract="0.3820414"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a39" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.41867"
                           xFract="0.99747275"
                           y3="8.43471"
                           yFract="0.99937322"
                           z3="9.69128"
                           zFract="0.43615122"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32669"
                           xFract="0.74960782"
                           y3="4.21166"
                           yFract="0.49901185"
                           z3="4.21169"
                           zFract="0.189545"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.00973"
                           xFract="0.00115284"
                           y3="0.0148"
                           yFract="0.00175355"
                           z3="6.23432"
                           zFract="0.28057246"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33656"
                           xFract="0.75077725"
                           y3="4.20183"
                           yFract="0.49784716"
                           z3="8.51035"
                           zFract="0.38300405"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10849"
                           xFract="0.24982109"
                           y3="4.21712"
                           yFract="0.49965877"
                           z3="4.21949"
                           zFract="0.18989604"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25436"
                           xFract="0.50407109"
                           y3="6.2984"
                           yFract="0.74625592"
                           z3="8.48223"
                           zFract="0.38173852"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14073"
                           xFract="0.253641"
                           y3="8.43743"
                           yFract="0.9996955"
                           z3="4.21327"
                           zFract="0.18961611"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25786"
                           xFract="0.50448578"
                           y3="2.14549"
                           yFract="0.25420498"
                           z3="8.54017"
                           zFract="0.38434608"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07752"
                           xFract="0.24615166"
                           y3="2.12302"
                           yFract="0.25154265"
                           z3="6.41378"
                           zFract="0.28864896"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22234"
                           xFract="0.50027725"
                           y3="6.31655"
                           yFract="0.7484064"
                           z3="4.23791"
                           zFract="0.19072502"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42517"
                           xFract="0.99824289"
                           y3="4.2199"
                           yFract="0.49998815"
                           z3="6.37844"
                           zFract="0.28705851"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09146"
                           xFract="0.24780332"
                           y3="4.20949"
                           yFract="0.49875474"
                           z3="8.66702"
                           zFract="0.39005491"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.01135"
                           xFract="0.00134479"
                           y3="6.19128"
                           yFract="0.73356398"
                           z3="8.63902"
                           zFract="0.38879478"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3476"
                           xFract="0.75208531"
                           y3="6.31184"
                           yFract="0.74784834"
                           z3="6.38226"
                           zFract="0.28723042"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37625"
                           xFract="0.75547986"
                           y3="2.1267"
                           yFract="0.25197867"
                           z3="6.43367"
                           zFract="0.2895441"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.20917"
                           xFract="0.49871682"
                           y3="8.43983"
                           yFract="0.99997986"
                           z3="6.37634"
                           zFract="0.286964"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01475"
                           xFract="0.00174763"
                           y3="2.26155"
                           yFract="0.26795616"
                           z3="8.67227"
                           zFract="0.39029118"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.4376"
                           xFract="0.99971564"
                           y3="2.14985"
                           yFract="0.25472156"
                           z3="4.24185"
                           zFract="0.19090234"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05701"
                           xFract="0.24372156"
                           y3="6.29324"
                           yFract="0.74564455"
                           z3="6.43869"
                           zFract="0.28977003"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00897"
                           xFract="0.0010628"
                           y3="6.28918"
                           yFract="0.74516351"
                           z3="4.20569"
                           zFract="0.18927498"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23187"
                           xFract="0.5014064"
                           y3="2.10791"
                           yFract="0.24975237"
                           z3="4.27556"
                           zFract="0.19241944"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.2518"
                           xFract="0.7407346"
                           y3="0.04573"
                           yFract="0.00541825"
                           z3="8.41918"
                           zFract="0.37890099"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.2788"
                           xFract="0.2700"
                           y3="0.00513"
                           yFract="0.00060782"
                           z3="8.46192"
                           zFract="0.38082448"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20135"
                           xFract="0.49779028"
                           y3="4.20355"
                           yFract="0.49805095"
                           z3="6.40385"
                           zFract="0.28820207"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30465"
                           xFract="0.74699645"
                           y3="0.01028"
                           yFract="0.00121801"
                           z3="4.23217"
                           zFract="0.1904667"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02788"
                           xFract="0.00330332"
                           y3="2.05937"
                           yFract="0.24400118"
                           z3="6.3159"
                           zFract="0.28424392"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.02444"
                           xFract="0.23986256"
                           y3="0.00622"
                           yFract="0.00073697"
                           z3="6.35439"
                           zFract="0.28597615"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0184"
                           xFract="0.00218009"
                           y3="0.00401"
                           yFract="0.00047512"
                           z3="4.19926"
                           zFract="0.1889856"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.32016"
                           xFract="0.98580095"
                           y3="8.40775"
                           yFract="0.99617891"
                           z3="8.70272"
                           zFract="0.39166157"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14037"
                           xFract="0.25359834"
                           y3="2.09428"
                           yFract="0.24813744"
                           z3="4.25674"
                           zFract="0.19157246"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12878"
                           xFract="0.25222512"
                           y3="2.06438"
                           yFract="0.24459479"
                           z3="8.56558"
                           zFract="0.38548965"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.18639"
                           xFract="0.49601777"
                           y3="2.00656"
                           yFract="0.23774408"
                           z3="6.4598"
                           zFract="0.29072007"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.44117"
                           xFract="0.7631718"
                           y3="0.09223"
                           yFract="0.01092773"
                           z3="6.37761"
                           zFract="0.28702115"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21731"
                           xFract="0.49968128"
                           y3="8.39947"
                           yFract="0.99519787"
                           z3="4.14642"
                           zFract="0.18660756"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27561"
                           xFract="0.50658886"
                           y3="8.42734"
                           yFract="0.9985"
                           z3="8.77655"
                           zFract="0.39498425"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31026"
                           xFract="0.74766114"
                           y3="2.18287"
                           yFract="0.25863389"
                           z3="4.13613"
                           zFract="0.18614446"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3487"
                           xFract="0.75221564"
                           y3="2.23581"
                           yFract="0.2649064"
                           z3="8.72467"
                           zFract="0.39264941"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40654"
                           xFract="0.99603555"
                           y3="6.40494"
                           yFract="0.75887915"
                           z3="6.27854"
                           zFract="0.28256256"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09386"
                           xFract="0.24808768"
                           y3="4.20867"
                           yFract="0.49865758"
                           z3="6.27975"
                           zFract="0.28261701"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00672"
                           xFract="0.00079621"
                           y3="4.21753"
                           yFract="0.49970735"
                           z3="4.29785"
                           zFract="0.19342259"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36349"
                           xFract="0.99093483"
                           y3="4.22909"
                           yFract="0.50107701"
                           z3="8.48667"
                           zFract="0.38193834"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15631"
                           xFract="0.25548697"
                           y3="6.33283"
                           yFract="0.75033531"
                           z3="4.19028"
                           zFract="0.18858146"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13419"
                           xFract="0.25286611"
                           y3="6.37649"
                           yFract="0.75550829"
                           z3="8.59261"
                           zFract="0.38670612"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23815"
                           xFract="0.50215047"
                           y3="6.42599"
                           yFract="0.76137322"
                           z3="6.38493"
                           zFract="0.28735059"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32681"
                           xFract="0.74962204"
                           y3="4.12662"
                           yFract="0.48893602"
                           z3="6.27487"
                           zFract="0.28239739"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2087"
                           xFract="0.49866114"
                           y3="4.24276"
                           yFract="0.50269668"
                           z3="4.22933"
                           zFract="0.19033888"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30648"
                           xFract="0.51024645"
                           y3="4.22179"
                           yFract="0.50021209"
                           z3="8.51694"
                           zFract="0.38330063"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28974"
                           xFract="0.74522986"
                           y3="6.24892"
                           yFract="0.74039336"
                           z3="4.25232"
                           zFract="0.19137354"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34458"
                           xFract="0.75172749"
                           y3="6.19335"
                           yFract="0.73380924"
                           z3="8.48873"
                           zFract="0.38203105"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a39" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.42174"
                           xFract="0.99783649"
                           y3="8.43611"
                           yFract="0.9995391"
                           z3="9.71063"
                           zFract="0.43702205"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32595"
                           xFract="0.74952014"
                           y3="4.21148"
                           yFract="0.49899052"
                           z3="4.21231"
                           zFract="0.18957291"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01152"
                           xFract="0.00136493"
                           y3="0.01499"
                           yFract="0.00177607"
                           z3="6.23734"
                           zFract="0.28070837"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33236"
                           xFract="0.75027962"
                           y3="4.20114"
                           yFract="0.4977654"
                           z3="8.50986"
                           zFract="0.382982"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1096"
                           xFract="0.24995261"
                           y3="4.21703"
                           yFract="0.4996481"
                           z3="4.2211"
                           zFract="0.1899685"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25341"
                           xFract="0.50395853"
                           y3="6.29717"
                           yFract="0.74611019"
                           z3="8.48525"
                           zFract="0.38187444"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14132"
                           xFract="0.2537109"
                           y3="8.43751"
                           yFract="0.99970498"
                           z3="4.21163"
                           zFract="0.1895423"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25623"
                           xFract="0.50429265"
                           y3="2.14711"
                           yFract="0.25439692"
                           z3="8.54409"
                           zFract="0.3845225"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07794"
                           xFract="0.24620142"
                           y3="2.12269"
                           yFract="0.25150355"
                           z3="6.41627"
                           zFract="0.28876103"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22251"
                           xFract="0.50029739"
                           y3="6.31559"
                           yFract="0.74829265"
                           z3="4.23782"
                           zFract="0.19072097"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.4252"
                           xFract="0.99824645"
                           y3="4.2198"
                           yFract="0.4999763"
                           z3="6.37764"
                           zFract="0.2870225"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09388"
                           xFract="0.24809005"
                           y3="4.20972"
                           yFract="0.49878199"
                           z3="8.66719"
                           zFract="0.39006256"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.01361"
                           xFract="0.00161256"
                           y3="6.19871"
                           yFract="0.73444431"
                           z3="8.64056"
                           zFract="0.38886409"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34746"
                           xFract="0.75206872"
                           y3="6.31135"
                           yFract="0.74779028"
                           z3="6.38458"
                           zFract="0.28733483"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37665"
                           xFract="0.75552725"
                           y3="2.12744"
                           yFract="0.25206635"
                           z3="6.43534"
                           zFract="0.28961926"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.20904"
                           xFract="0.49870142"
                           y3="8.43998"
                           yFract="0.99999763"
                           z3="6.37312"
                           zFract="0.28681908"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01719"
                           xFract="0.00203673"
                           y3="2.25479"
                           yFract="0.26715521"
                           z3="8.67348"
                           zFract="0.39034563"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43794"
                           xFract="0.99975592"
                           y3="2.15073"
                           yFract="0.25482583"
                           z3="4.24017"
                           zFract="0.19082673"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05741"
                           xFract="0.24376896"
                           y3="6.2930"
                           yFract="0.74561611"
                           z3="6.4406"
                           zFract="0.28985599"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00904"
                           xFract="0.00107109"
                           y3="6.28814"
                           yFract="0.74504028"
                           z3="4.20434"
                           zFract="0.18921422"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23187"
                           xFract="0.5014064"
                           y3="2.10898"
                           yFract="0.24987915"
                           z3="4.27537"
                           zFract="0.19241089"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.25397"
                           xFract="0.74099171"
                           y3="0.04612"
                           yFract="0.00546445"
                           z3="8.41839"
                           zFract="0.37886544"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.28086"
                           xFract="0.27024408"
                           y3="0.00506"
                           yFract="0.00059953"
                           z3="8.45887"
                           zFract="0.38068722"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20114"
                           xFract="0.4977654"
                           y3="4.20342"
                           yFract="0.49803555"
                           z3="6.40342"
                           zFract="0.28818272"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30375"
                           xFract="0.74688981"
                           y3="0.01016"
                           yFract="0.00120379"
                           z3="4.23055"
                           zFract="0.19039379"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02752"
                           xFract="0.00326066"
                           y3="2.0550"
                           yFract="0.24348341"
                           z3="6.3142"
                           zFract="0.28416742"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.0233"
                           xFract="0.23972749"
                           y3="0.00661"
                           yFract="0.00078318"
                           z3="6.34659"
                           zFract="0.28562511"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01836"
                           xFract="0.00217536"
                           y3="0.00418"
                           yFract="0.00049526"
                           z3="4.19253"
                           zFract="0.18868272"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.31334"
                           xFract="0.98499289"
                           y3="8.40479"
                           yFract="0.9958282"
                           z3="8.72797"
                           zFract="0.39279793"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14073"
                           xFract="0.253641"
                           y3="2.09444"
                           yFract="0.2481564"
                           z3="4.25667"
                           zFract="0.19156931"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1322"
                           xFract="0.25263033"
                           y3="2.06845"
                           yFract="0.24507701"
                           z3="8.56355"
                           zFract="0.38539829"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1873"
                           xFract="0.49612559"
                           y3="2.00602"
                           yFract="0.23768009"
                           z3="6.45885"
                           zFract="0.29067732"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.44317"
                           xFract="0.76340877"
                           y3="0.09234"
                           yFract="0.01094076"
                           z3="6.37018"
                           zFract="0.28668677"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21736"
                           xFract="0.4996872"
                           y3="8.39922"
                           yFract="0.99516825"
                           z3="4.14569"
                           zFract="0.18657471"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.27819"
                           xFract="0.50689455"
                           y3="8.42722"
                           yFract="0.99848578"
                           z3="8.78233"
                           zFract="0.39524437"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31057"
                           xFract="0.74769787"
                           y3="2.18183"
                           yFract="0.25851066"
                           z3="4.13642"
                           zFract="0.18615752"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34401"
                           xFract="0.75165995"
                           y3="2.23764"
                           yFract="0.26512322"
                           z3="8.72551"
                           zFract="0.39268722"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40604"
                           xFract="0.9959763"
                           y3="6.40999"
                           yFract="0.75947749"
                           z3="6.27661"
                           zFract="0.2824757"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09365"
                           xFract="0.2480628"
                           y3="4.20825"
                           yFract="0.49860782"
                           z3="6.2799"
                           zFract="0.28262376"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00644"
                           xFract="0.00076303"
                           y3="4.21777"
                           yFract="0.49973578"
                           z3="4.30273"
                           zFract="0.19364221"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36056"
                           xFract="0.99058768"
                           y3="4.22913"
                           yFract="0.50108175"
                           z3="8.48194"
                           zFract="0.38172547"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15678"
                           xFract="0.25554265"
                           y3="6.33271"
                           yFract="0.75032109"
                           z3="4.19012"
                           zFract="0.18857426"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13767"
                           xFract="0.25327844"
                           y3="6.37243"
                           yFract="0.75502725"
                           z3="8.58968"
                           zFract="0.38657426"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23859"
                           xFract="0.50220261"
                           y3="6.42634"
                           yFract="0.76141469"
                           z3="6.38367"
                           zFract="0.28729388"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32694"
                           xFract="0.74963744"
                           y3="4.12699"
                           yFract="0.48897986"
                           z3="6.27701"
                           zFract="0.2824937"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20864"
                           xFract="0.49865403"
                           y3="4.24258"
                           yFract="0.50267536"
                           z3="4.23045"
                           zFract="0.19038929"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30522"
                           xFract="0.51009716"
                           y3="4.22188"
                           yFract="0.50022275"
                           z3="8.51681"
                           zFract="0.38329478"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28981"
                           xFract="0.74523815"
                           y3="6.24983"
                           yFract="0.74050118"
                           z3="4.2528"
                           zFract="0.19139514"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34098"
                           xFract="0.75130095"
                           y3="6.19086"
                           yFract="0.73351422"
                           z3="8.48702"
                           zFract="0.3819541"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a1 a48" order="S"/>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a39" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a73" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.43097"
                           xFract="0.99893009"
                           y3="0.00032"
                           yFract="0.00003791"
                           z3="9.76869"
                           zFract="0.43963501"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32373"
                           xFract="0.74925711"
                           y3="4.21094"
                           yFract="0.49892654"
                           z3="4.21416"
                           zFract="0.18965617"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01688"
                           xFract="0.0020"
                           y3="0.01555"
                           yFract="0.00184242"
                           z3="6.24641"
                           zFract="0.28111656"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.31977"
                           xFract="0.74878791"
                           y3="4.19908"
                           yFract="0.49752133"
                           z3="8.50837"
                           zFract="0.38291494"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11296"
                           xFract="0.25035071"
                           y3="4.21677"
                           yFract="0.4996173"
                           z3="4.22593"
                           zFract="0.19018587"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25056"
                           xFract="0.50362085"
                           y3="6.29349"
                           yFract="0.74567417"
                           z3="8.49431"
                           zFract="0.38228218"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14308"
                           xFract="0.25391943"
                           y3="8.43773"
                           yFract="0.99973104"
                           z3="4.20669"
                           zFract="0.18931998"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25131"
                           xFract="0.50370972"
                           y3="2.15198"
                           yFract="0.25497393"
                           z3="8.55584"
                           zFract="0.38505131"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07918"
                           xFract="0.24634834"
                           y3="2.12169"
                           yFract="0.25138507"
                           z3="6.42374"
                           zFract="0.28909721"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22304"
                           xFract="0.50036019"
                           y3="6.3127"
                           yFract="0.74795024"
                           z3="4.23754"
                           zFract="0.19070837"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42528"
                           xFract="0.99825592"
                           y3="4.21953"
                           yFract="0.49994431"
                           z3="6.37525"
                           zFract="0.28691494"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10113"
                           xFract="0.24894905"
                           y3="4.2104"
                           yFract="0.49886256"
                           z3="8.66771"
                           zFract="0.39008596"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.02039"
                           xFract="0.00241588"
                           y3="6.22099"
                           yFract="0.73708412"
                           z3="8.64517"
                           zFract="0.38907156"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34704"
                           xFract="0.75201896"
                           y3="6.3099"
                           yFract="0.74761848"
                           z3="6.39153"
                           zFract="0.28764761"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37783"
                           xFract="0.75566706"
                           y3="2.12964"
                           yFract="0.25232701"
                           z3="6.44034"
                           zFract="0.28984428"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.20864"
                           xFract="0.49865403"
                           y3="0.00042"
                           yFract="0.00004976"
                           z3="6.36347"
                           zFract="0.28638479"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02452"
                           xFract="0.00290521"
                           y3="2.23451"
                           yFract="0.26475237"
                           z3="8.67712"
                           zFract="0.39050945"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43896"
                           xFract="0.99987678"
                           y3="2.15337"
                           yFract="0.25513863"
                           z3="4.23515"
                           zFract="0.19060081"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05862"
                           xFract="0.24391232"
                           y3="6.2923"
                           yFract="0.74553318"
                           z3="6.44633"
                           zFract="0.29011386"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00922"
                           xFract="0.00109242"
                           y3="6.28502"
                           yFract="0.74467062"
                           z3="4.20027"
                           zFract="0.18903105"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23188"
                           xFract="0.50140758"
                           y3="2.11218"
                           yFract="0.25025829"
                           z3="4.27478"
                           zFract="0.19238434"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.26048"
                           xFract="0.74176303"
                           y3="0.04731"
                           yFract="0.00560545"
                           z3="8.41602"
                           zFract="0.37875878"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.28704"
                           xFract="0.2709763"
                           y3="0.00486"
                           yFract="0.00057583"
                           z3="8.44971"
                           zFract="0.38027498"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20051"
                           xFract="0.49769076"
                           y3="4.20303"
                           yFract="0.49798934"
                           z3="6.40213"
                           zFract="0.28812466"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30104"
                           xFract="0.74656872"
                           y3="0.00977"
                           yFract="0.00115758"
                           z3="4.22568"
                           zFract="0.19017462"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02645"
                           xFract="0.00313389"
                           y3="2.04188"
                           yFract="0.24192891"
                           z3="6.30912"
                           zFract="0.28393879"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.01989"
                           xFract="0.23932346"
                           y3="0.00779"
                           yFract="0.00092299"
                           z3="6.32319"
                           zFract="0.28457201"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01824"
                           xFract="0.00216114"
                           y3="0.00472"
                           yFract="0.00055924"
                           z3="4.17234"
                           zFract="0.18777408"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29286"
                           xFract="0.98256635"
                           y3="8.39591"
                           yFract="0.99477607"
                           z3="8.8037"
                           zFract="0.39620612"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14182"
                           xFract="0.25377014"
                           y3="2.09495"
                           yFract="0.24821682"
                           z3="4.25648"
                           zFract="0.19156076"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14246"
                           xFract="0.25384597"
                           y3="2.08066"
                           yFract="0.2465237"
                           z3="8.55746"
                           zFract="0.38512421"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19003"
                           xFract="0.49644905"
                           y3="2.00441"
                           yFract="0.23748934"
                           z3="6.45599"
                           zFract="0.2905486"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.44917"
                           xFract="0.76411967"
                           y3="0.09268"
                           yFract="0.01098104"
                           z3="6.34789"
                           zFract="0.28568362"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21752"
                           xFract="0.49970616"
                           y3="8.39847"
                           yFract="0.99507938"
                           z3="4.1435"
                           zFract="0.18647615"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28593"
                           xFract="0.50781161"
                           y3="8.42683"
                           yFract="0.99843957"
                           z3="8.79967"
                           zFract="0.39602475"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31151"
                           xFract="0.74780924"
                           y3="2.17872"
                           yFract="0.25814218"
                           z3="4.13726"
                           zFract="0.18619532"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32993"
                           xFract="0.74999171"
                           y3="2.24311"
                           yFract="0.26577133"
                           z3="8.72803"
                           zFract="0.39280063"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40456"
                           xFract="0.99580095"
                           y3="6.42513"
                           yFract="0.76127133"
                           z3="6.27084"
                           zFract="0.28221602"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09302"
                           xFract="0.24798815"
                           y3="4.2070"
                           yFract="0.49845972"
                           z3="6.28036"
                           zFract="0.28264446"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00559"
                           xFract="0.00066232"
                           y3="4.21847"
                           yFract="0.49981872"
                           z3="4.31736"
                           zFract="0.19430063"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35176"
                           xFract="0.98954502"
                           y3="4.22927"
                           yFract="0.50109834"
                           z3="8.46776"
                           zFract="0.38108731"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15821"
                           xFract="0.25571209"
                           y3="6.33235"
                           yFract="0.75027844"
                           z3="4.18967"
                           zFract="0.18855401"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14811"
                           xFract="0.2545154"
                           y3="6.36024"
                           yFract="0.75358294"
                           z3="8.58088"
                           zFract="0.38617822"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2399"
                           xFract="0.50235782"
                           y3="6.42738"
                           yFract="0.76153791"
                           z3="6.37986"
                           zFract="0.28712241"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32731"
                           xFract="0.74968128"
                           y3="4.12812"
                           yFract="0.48911374"
                           z3="6.2834"
                           zFract="0.28278128"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20845"
                           xFract="0.49863152"
                           y3="4.24203"
                           yFract="0.50261019"
                           z3="4.2338"
                           zFract="0.19054005"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30145"
                           xFract="0.50965047"
                           y3="4.22214"
                           yFract="0.50025355"
                           z3="8.51643"
                           zFract="0.38327768"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29002"
                           xFract="0.74526303"
                           y3="6.25256"
                           yFract="0.74082464"
                           z3="4.25425"
                           zFract="0.1914604"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33018"
                           xFract="0.75002133"
                           y3="6.18341"
                           yFract="0.73263152"
                           z3="8.48187"
                           zFract="0.38172232"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a39" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.43253"
                           xFract="0.99911493"
                           y3="0.00103"
                           yFract="0.00012204"
                           z3="9.77853"
                           zFract="0.44007786"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32335"
                           xFract="0.74921209"
                           y3="4.21084"
                           yFract="0.49891469"
                           z3="4.21447"
                           zFract="0.18967012"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01779"
                           xFract="0.00210782"
                           y3="0.01564"
                           yFract="0.00185308"
                           z3="6.24795"
                           zFract="0.28118587"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.31763"
                           xFract="0.74853436"
                           y3="4.19873"
                           yFract="0.49747986"
                           z3="8.50812"
                           zFract="0.38290369"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11353"
                           xFract="0.25041825"
                           y3="4.21672"
                           yFract="0.49961137"
                           z3="4.22675"
                           zFract="0.19022277"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25008"
                           xFract="0.50356398"
                           y3="6.29287"
                           yFract="0.74560071"
                           z3="8.49585"
                           zFract="0.38235149"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14338"
                           xFract="0.25395498"
                           y3="8.43777"
                           yFract="0.99973578"
                           z3="4.20586"
                           zFract="0.18928263"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25048"
                           xFract="0.50361137"
                           y3="2.1528"
                           yFract="0.25507109"
                           z3="8.55783"
                           zFract="0.38514086"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.07939"
                           xFract="0.24637322"
                           y3="2.12152"
                           yFract="0.25136493"
                           z3="6.4250"
                           zFract="0.28915392"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22312"
                           xFract="0.50036967"
                           y3="6.31221"
                           yFract="0.74789218"
                           z3="4.23749"
                           zFract="0.19070612"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.4253"
                           xFract="0.99825829"
                           y3="4.21949"
                           yFract="0.49993957"
                           z3="6.37484"
                           zFract="0.28689649"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10236"
                           xFract="0.24909479"
                           y3="4.21051"
                           yFract="0.49887559"
                           z3="8.6678"
                           zFract="0.39009001"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.02154"
                           xFract="0.00255213"
                           y3="6.22477"
                           yFract="0.73753199"
                           z3="8.64595"
                           zFract="0.38910666"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34697"
                           xFract="0.75201066"
                           y3="6.30965"
                           yFract="0.74758886"
                           z3="6.39271"
                           zFract="0.28770072"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37803"
                           xFract="0.75569076"
                           y3="2.13002"
                           yFract="0.25237204"
                           z3="6.44119"
                           zFract="0.28988254"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.20857"
                           xFract="0.49864573"
                           y3="0.00049"
                           yFract="0.00005806"
                           z3="6.36184"
                           zFract="0.28631143"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02576"
                           xFract="0.00305213"
                           y3="2.23108"
                           yFract="0.26434597"
                           z3="8.67773"
                           zFract="0.3905369"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43913"
                           xFract="0.99989692"
                           y3="2.15381"
                           yFract="0.25519076"
                           z3="4.2343"
                           zFract="0.19056256"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.05882"
                           xFract="0.24393602"
                           y3="6.29218"
                           yFract="0.74551896"
                           z3="6.4473"
                           zFract="0.29015752"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00925"
                           xFract="0.00109597"
                           y3="6.28449"
                           yFract="0.74460782"
                           z3="4.19958"
                           zFract="0.1890"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23188"
                           xFract="0.50140758"
                           y3="2.11273"
                           yFract="0.25032346"
                           z3="4.27468"
                           zFract="0.19237984"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.26158"
                           xFract="0.74189336"
                           y3="0.04751"
                           yFract="0.00562915"
                           z3="8.41562"
                           zFract="0.37874077"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.28808"
                           xFract="0.27109953"
                           y3="0.00482"
                           yFract="0.00057109"
                           z3="8.44815"
                           zFract="0.38020477"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.2004"
                           xFract="0.49767773"
                           y3="4.20296"
                           yFract="0.49798104"
                           z3="6.40191"
                           zFract="0.28811476"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30058"
                           xFract="0.74651422"
                           y3="0.00971"
                           yFract="0.00115047"
                           z3="4.22485"
                           zFract="0.19013726"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02627"
                           xFract="0.00311256"
                           y3="2.03965"
                           yFract="0.24166469"
                           z3="6.30826"
                           zFract="0.28390009"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.01931"
                           xFract="0.23925474"
                           y3="0.00799"
                           yFract="0.00094668"
                           z3="6.31923"
                           zFract="0.28439379"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01822"
                           xFract="0.00215877"
                           y3="0.00481"
                           yFract="0.00056991"
                           z3="4.16892"
                           zFract="0.18762016"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.28939"
                           xFract="0.98215521"
                           y3="8.3944"
                           yFract="0.99459716"
                           z3="8.81653"
                           zFract="0.39678353"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1420"
                           xFract="0.25379147"
                           y3="2.09504"
                           yFract="0.24822749"
                           z3="4.25645"
                           zFract="0.19155941"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14419"
                           xFract="0.25405095"
                           y3="2.08273"
                           yFract="0.24676896"
                           z3="8.55643"
                           zFract="0.38507786"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19049"
                           xFract="0.49650355"
                           y3="2.00414"
                           yFract="0.23745735"
                           z3="6.45551"
                           zFract="0.290527"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.45018"
                           xFract="0.76423934"
                           y3="0.09273"
                           yFract="0.01098697"
                           z3="6.34411"
                           zFract="0.2855135"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21754"
                           xFract="0.49970853"
                           y3="8.39834"
                           yFract="0.99506398"
                           z3="4.14313"
                           zFract="0.1864595"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.28725"
                           xFract="0.50796801"
                           y3="8.42677"
                           yFract="0.99843246"
                           z3="8.80261"
                           zFract="0.39615707"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31167"
                           xFract="0.7478282"
                           y3="2.17819"
                           yFract="0.25807938"
                           z3="4.1374"
                           zFract="0.18620162"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32754"
                           xFract="0.74970853"
                           y3="2.24404"
                           yFract="0.26588152"
                           z3="8.72845"
                           zFract="0.39281953"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40431"
                           xFract="0.99577133"
                           y3="6.42769"
                           yFract="0.76157464"
                           z3="6.26986"
                           zFract="0.28217192"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09291"
                           xFract="0.24797512"
                           y3="4.20679"
                           yFract="0.49843483"
                           z3="6.28043"
                           zFract="0.28264761"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00544"
                           xFract="0.00064455"
                           y3="4.21859"
                           yFract="0.49983294"
                           z3="4.31984"
                           zFract="0.19441224"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35027"
                           xFract="0.98936848"
                           y3="4.2293"
                           yFract="0.5011019"
                           z3="8.46535"
                           zFract="0.38097885"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15845"
                           xFract="0.25574052"
                           y3="6.33229"
                           yFract="0.75027133"
                           z3="4.18959"
                           zFract="0.18855041"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14988"
                           xFract="0.25472512"
                           y3="6.35817"
                           yFract="0.75333768"
                           z3="8.57939"
                           zFract="0.38611116"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24012"
                           xFract="0.50238389"
                           y3="6.42755"
                           yFract="0.76155806"
                           z3="6.37922"
                           zFract="0.28709361"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32737"
                           xFract="0.74968839"
                           y3="4.12831"
                           yFract="0.48913626"
                           z3="6.28449"
                           zFract="0.28283033"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.20842"
                           xFract="0.49862796"
                           y3="4.24194"
                           yFract="0.50259953"
                           z3="4.23437"
                           zFract="0.19056571"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.30081"
                           xFract="0.50957464"
                           y3="4.22219"
                           yFract="0.50025948"
                           z3="8.51636"
                           zFract="0.38327453"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29005"
                           xFract="0.74526659"
                           y3="6.25303"
                           yFract="0.74088033"
                           z3="4.2545"
                           zFract="0.19147165"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32835"
                           xFract="0.7498045"
                           y3="6.18215"
                           yFract="0.73248223"
                           z3="8.4810"
                           zFract="0.38168317"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a13 a39" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.43216"
                           xFract="0.99907109"
                           y3="0.00224"
                           yFract="0.0002654"
                           z3="9.79522"
                           zFract="0.44082898"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32328"
                           xFract="0.74920379"
                           y3="4.21074"
                           yFract="0.49890284"
                           z3="4.2155"
                           zFract="0.18971647"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.0169"
                           xFract="0.00200237"
                           y3="0.01597"
                           yFract="0.00189218"
                           z3="6.24413"
                           zFract="0.28101395"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.31995"
                           xFract="0.74880924"
                           y3="4.19907"
                           yFract="0.49752014"
                           z3="8.50631"
                           zFract="0.38282223"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11371"
                           xFract="0.25043957"
                           y3="4.21669"
                           yFract="0.49960782"
                           z3="4.22741"
                           zFract="0.19025248"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25049"
                           xFract="0.50361256"
                           y3="6.2963"
                           yFract="0.74600711"
                           z3="8.49671"
                           zFract="0.38239019"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14091"
                           xFract="0.25366232"
                           y3="8.43784"
                           yFract="0.99974408"
                           z3="4.20342"
                           zFract="0.18917282"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25043"
                           xFract="0.50360545"
                           y3="2.1494"
                           yFract="0.25466825"
                           z3="8.55941"
                           zFract="0.38521197"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08025"
                           xFract="0.24647512"
                           y3="2.12212"
                           yFract="0.25143602"
                           z3="6.42387"
                           zFract="0.28910306"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22325"
                           xFract="0.50038507"
                           y3="6.31213"
                           yFract="0.7478827"
                           z3="4.23777"
                           zFract="0.19071872"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.4251"
                           xFract="0.9982346"
                           y3="4.21967"
                           yFract="0.4999609"
                           z3="6.37805"
                           zFract="0.28704095"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10197"
                           xFract="0.24904858"
                           y3="4.21077"
                           yFract="0.4989064"
                           z3="8.66711"
                           zFract="0.39005896"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0196"
                           xFract="0.00232227"
                           y3="6.22764"
                           yFract="0.73787204"
                           z3="8.64741"
                           zFract="0.38917237"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34645"
                           xFract="0.75194905"
                           y3="6.30969"
                           yFract="0.7475936"
                           z3="6.39246"
                           zFract="0.28768947"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37764"
                           xFract="0.75564455"
                           y3="2.12979"
                           yFract="0.25234479"
                           z3="6.44173"
                           zFract="0.28990684"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2099"
                           xFract="0.49880332"
                           y3="0.00047"
                           yFract="0.00005569"
                           z3="6.36123"
                           zFract="0.28628398"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02452"
                           xFract="0.00290521"
                           y3="2.22698"
                           yFract="0.26386019"
                           z3="8.6789"
                           zFract="0.39058956"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="8.43964"
                           xFract="0.99995735"
                           y3="2.15099"
                           yFract="0.25485664"
                           z3="4.2332"
                           zFract="0.19051305"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0594"
                           xFract="0.24400474"
                           y3="6.29114"
                           yFract="0.74539573"
                           z3="6.44663"
                           zFract="0.29012736"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00952"
                           xFract="0.00112796"
                           y3="6.28722"
                           yFract="0.74493128"
                           z3="4.19878"
                           zFract="0.188964"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23194"
                           xFract="0.50141469"
                           y3="2.11315"
                           yFract="0.25037322"
                           z3="4.27497"
                           zFract="0.19239289"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.25788"
                           xFract="0.74145498"
                           y3="0.04793"
                           yFract="0.00567891"
                           z3="8.41938"
                           zFract="0.37890999"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.28685"
                           xFract="0.27095379"
                           y3="0.00481"
                           yFract="0.00056991"
                           z3="8.44746"
                           zFract="0.38017372"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20005"
                           xFract="0.49763626"
                           y3="4.20279"
                           yFract="0.4979609"
                           z3="6.40085"
                           zFract="0.28806706"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.30321"
                           xFract="0.74682583"
                           y3="0.00951"
                           yFract="0.00112678"
                           z3="4.22297"
                           zFract="0.19005266"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02645"
                           xFract="0.00313389"
                           y3="2.03645"
                           yFract="0.24128555"
                           z3="6.30973"
                           zFract="0.28396625"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.01763"
                           xFract="0.23905569"
                           y3="0.00842"
                           yFract="0.00099763"
                           z3="6.3210"
                           zFract="0.28447345"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01897"
                           xFract="0.00224763"
                           y3="0.00495"
                           yFract="0.00058649"
                           z3="4.17114"
                           zFract="0.18772007"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29003"
                           xFract="0.98223104"
                           y3="8.39226"
                           yFract="0.9943436"
                           z3="8.83297"
                           zFract="0.3975234"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14258"
                           xFract="0.25386019"
                           y3="2.09681"
                           yFract="0.2484372"
                           z3="4.25572"
                           zFract="0.19152655"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.14292"
                           xFract="0.25390047"
                           y3="2.08338"
                           yFract="0.24684597"
                           z3="8.55475"
                           zFract="0.38500225"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19161"
                           xFract="0.49663626"
                           y3="2.00447"
                           yFract="0.23749645"
                           z3="6.45625"
                           zFract="0.29056031"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4533"
                           xFract="0.764609"
                           y3="0.09284"
                           yFract="0.0110"
                           z3="6.3455"
                           zFract="0.28557606"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2168"
                           xFract="0.49962085"
                           y3="8.39815"
                           yFract="0.99504147"
                           z3="4.1415"
                           zFract="0.18638614"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.29616"
                           xFract="0.5090237"
                           y3="8.42677"
                           yFract="0.99843246"
                           z3="8.80444"
                           zFract="0.39623942"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31141"
                           xFract="0.74779739"
                           y3="2.17967"
                           yFract="0.25825474"
                           z3="4.1370"
                           zFract="0.18618362"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32811"
                           xFract="0.74977607"
                           y3="2.24653"
                           yFract="0.26617654"
                           z3="8.72811"
                           zFract="0.39280423"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40447"
                           xFract="0.99579028"
                           y3="6.43183"
                           yFract="0.76206517"
                           z3="6.27118"
                           zFract="0.28223132"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09269"
                           xFract="0.24794905"
                           y3="4.20639"
                           yFract="0.49838744"
                           z3="6.28042"
                           zFract="0.28264716"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00494"
                           xFract="0.00058531"
                           y3="4.21853"
                           yFract="0.49982583"
                           z3="4.32083"
                           zFract="0.1944568"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3476"
                           xFract="0.98905213"
                           y3="4.23092"
                           yFract="0.50129384"
                           z3="8.46302"
                           zFract="0.38087399"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15885"
                           xFract="0.25578791"
                           y3="6.33065"
                           yFract="0.75007701"
                           z3="4.18885"
                           zFract="0.1885171"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14925"
                           xFract="0.25465047"
                           y3="6.35643"
                           yFract="0.75313152"
                           z3="8.57728"
                           zFract="0.3860162"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24022"
                           xFract="0.50239573"
                           y3="6.42718"
                           yFract="0.76151422"
                           z3="6.37962"
                           zFract="0.28711161"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32656"
                           xFract="0.74959242"
                           y3="4.12836"
                           yFract="0.48914218"
                           z3="6.28528"
                           zFract="0.28286589"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2089"
                           xFract="0.49868483"
                           y3="4.2419"
                           yFract="0.50259479"
                           z3="4.23478"
                           zFract="0.19058416"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29899"
                           xFract="0.509359"
                           y3="4.2222"
                           yFract="0.50026066"
                           z3="8.51732"
                           zFract="0.38331773"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28976"
                           xFract="0.74523223"
                           y3="6.25182"
                           yFract="0.74073697"
                           z3="4.25522"
                           zFract="0.19150405"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.32951"
                           xFract="0.74994194"
                           y3="6.17863"
                           yFract="0.73206517"
                           z3="8.47968"
                           zFract="0.38162376"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a60" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.43104"
                           xFract="0.99893839"
                           y3="0.00588"
                           yFract="0.00069668"
                           z3="9.84529"
                           zFract="0.44308236"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32304"
                           xFract="0.74917536"
                           y3="4.21042"
                           yFract="0.49886493"
                           z3="4.21858"
                           zFract="0.18985509"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01423"
                           xFract="0.00168602"
                           y3="0.01695"
                           yFract="0.00200829"
                           z3="6.23268"
                           zFract="0.28049865"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32692"
                           xFract="0.74963507"
                           y3="4.20007"
                           yFract="0.49763863"
                           z3="8.50087"
                           zFract="0.38257741"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11426"
                           xFract="0.25050474"
                           y3="4.2166"
                           yFract="0.49959716"
                           z3="4.22939"
                           zFract="0.19034158"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25174"
                           xFract="0.50376066"
                           y3="6.30659"
                           yFract="0.7472263"
                           z3="8.4993"
                           zFract="0.38250675"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13349"
                           xFract="0.25278318"
                           y3="8.43805"
                           yFract="0.99976896"
                           z3="4.19609"
                           zFract="0.18884293"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25027"
                           xFract="0.50358649"
                           y3="2.1392"
                           yFract="0.25345972"
                           z3="8.56416"
                           zFract="0.38542574"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08282"
                           xFract="0.24677962"
                           y3="2.12391"
                           yFract="0.2516481"
                           z3="6.42046"
                           zFract="0.28894959"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22361"
                           xFract="0.50042773"
                           y3="6.3119"
                           yFract="0.74785545"
                           z3="4.23861"
                           zFract="0.19075653"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42452"
                           xFract="0.99816588"
                           y3="4.22024"
                           yFract="0.50002844"
                           z3="6.38768"
                           zFract="0.28747435"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10078"
                           xFract="0.24890758"
                           y3="4.21154"
                           yFract="0.49899763"
                           z3="8.66503"
                           zFract="0.38996535"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.01378"
                           xFract="0.0016327"
                           y3="6.23627"
                           yFract="0.73889455"
                           z3="8.65177"
                           zFract="0.38936859"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34491"
                           xFract="0.75176659"
                           y3="6.30981"
                           yFract="0.74760782"
                           z3="6.39172"
                           zFract="0.28765617"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37646"
                           xFract="0.75550474"
                           y3="2.12911"
                           yFract="0.25226422"
                           z3="6.44334"
                           zFract="0.2899793"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2139"
                           xFract="0.49927725"
                           y3="0.00041"
                           yFract="0.00004858"
                           z3="6.35941"
                           zFract="0.28620207"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02079"
                           xFract="0.00246327"
                           y3="2.21471"
                           yFract="0.2624064"
                           z3="8.68241"
                           zFract="0.39074752"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00114"
                           xFract="0.00013507"
                           y3="2.14252"
                           yFract="0.25385308"
                           z3="4.22991"
                           zFract="0.19036499"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06112"
                           xFract="0.24420853"
                           y3="6.28801"
                           yFract="0.74502488"
                           z3="6.44462"
                           zFract="0.2900369"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01033"
                           xFract="0.00122393"
                           y3="6.2954"
                           yFract="0.74590047"
                           z3="4.19641"
                           zFract="0.18885734"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2321"
                           xFract="0.50143365"
                           y3="2.11443"
                           yFract="0.25052488"
                           z3="4.27581"
                           zFract="0.19243069"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.24675"
                           xFract="0.74013626"
                           y3="0.0492"
                           yFract="0.00582938"
                           z3="8.43067"
                           zFract="0.37941809"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.28317"
                           xFract="0.27051777"
                           y3="0.00477"
                           yFract="0.00056517"
                           z3="8.44537"
                           zFract="0.38007966"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19901"
                           xFract="0.49751303"
                           y3="4.20226"
                           yFract="0.4978981"
                           z3="6.39768"
                           zFract="0.28792439"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31108"
                           xFract="0.74775829"
                           y3="0.00893"
                           yFract="0.00105806"
                           z3="4.21731"
                           zFract="0.18979793"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02698"
                           xFract="0.00319668"
                           y3="2.02685"
                           yFract="0.2401481"
                           z3="6.31414"
                           zFract="0.28416472"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.01261"
                           xFract="0.2384609"
                           y3="0.0097"
                           yFract="0.00114929"
                           z3="6.3263"
                           zFract="0.28471197"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0212"
                           xFract="0.00251185"
                           y3="0.00537"
                           yFract="0.00063626"
                           z3="4.17779"
                           zFract="0.18801935"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29194"
                           xFract="0.98245735"
                           y3="8.38585"
                           yFract="0.99358412"
                           z3="8.88227"
                           zFract="0.39974212"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14431"
                           xFract="0.25406517"
                           y3="2.10214"
                           yFract="0.24906872"
                           z3="4.25354"
                           zFract="0.19142844"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13911"
                           xFract="0.25344905"
                           y3="2.08534"
                           yFract="0.2470782"
                           z3="8.54972"
                           zFract="0.38477588"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19498"
                           xFract="0.49703555"
                           y3="2.00548"
                           yFract="0.23761611"
                           z3="6.45849"
                           zFract="0.29066112"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.46266"
                           xFract="0.76571801"
                           y3="0.09315"
                           yFract="0.01103673"
                           z3="6.34967"
                           zFract="0.28576373"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21459"
                           xFract="0.499359"
                           y3="8.39758"
                           yFract="0.99497393"
                           z3="4.13663"
                           zFract="0.18616697"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32289"
                           xFract="0.51219076"
                           y3="8.42677"
                           yFract="0.99843246"
                           z3="8.80995"
                           zFract="0.3964874"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31065"
                           xFract="0.74770735"
                           y3="2.18412"
                           yFract="0.25878199"
                           z3="4.1358"
                           zFract="0.18612961"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.32983"
                           xFract="0.74997986"
                           y3="2.25399"
                           yFract="0.26706043"
                           z3="8.7271"
                           zFract="0.39275878"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40493"
                           xFract="0.99584479"
                           y3="6.44422"
                           yFract="0.76353318"
                           z3="6.27516"
                           zFract="0.28241044"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09203"
                           xFract="0.24787085"
                           y3="4.20519"
                           yFract="0.49824526"
                           z3="6.28038"
                           zFract="0.28264536"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00343"
                           xFract="0.0004064"
                           y3="4.21837"
                           yFract="0.49980687"
                           z3="4.32378"
                           zFract="0.19458956"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.33958"
                           xFract="0.9881019"
                           y3="4.23577"
                           yFract="0.50186848"
                           z3="8.45602"
                           zFract="0.38055896"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.16002"
                           xFract="0.25592654"
                           y3="6.32576"
                           yFract="0.74949763"
                           z3="4.18664"
                           zFract="0.18841764"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14736"
                           xFract="0.25442654"
                           y3="6.35121"
                           yFract="0.75251303"
                           z3="8.57095"
                           zFract="0.38573132"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24054"
                           xFract="0.50243365"
                           y3="6.42605"
                           yFract="0.76138033"
                           z3="6.3808"
                           zFract="0.28716472"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32413"
                           xFract="0.7493045"
                           y3="4.1285"
                           yFract="0.48915877"
                           z3="6.28765"
                           zFract="0.28297255"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21035"
                           xFract="0.49885664"
                           y3="4.24176"
                           yFract="0.5025782"
                           z3="4.23603"
                           zFract="0.19064041"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29353"
                           xFract="0.50871209"
                           y3="4.22223"
                           yFract="0.50026422"
                           z3="8.52018"
                           zFract="0.38344644"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28889"
                           xFract="0.74512915"
                           y3="6.24819"
                           yFract="0.74030687"
                           z3="4.25739"
                           zFract="0.19160171"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3330"
                           xFract="0.75035545"
                           y3="6.16808"
                           yFract="0.73081517"
                           z3="8.47573"
                           zFract="0.38144599"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.43063"
                           xFract="0.99888981"
                           y3="0.00721"
                           yFract="0.00085427"
                           z3="9.86359"
                           zFract="0.44390594"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32296"
                           xFract="0.74916588"
                           y3="4.2103"
                           yFract="0.49885071"
                           z3="4.21971"
                           zFract="0.18990594"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01325"
                           xFract="0.00156991"
                           y3="0.01731"
                           yFract="0.00205095"
                           z3="6.2285"
                           zFract="0.28031053"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32947"
                           xFract="0.7499372"
                           y3="4.20043"
                           yFract="0.49768128"
                           z3="8.49888"
                           zFract="0.38248785"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11446"
                           xFract="0.25052844"
                           y3="4.21657"
                           yFract="0.4995936"
                           z3="4.23012"
                           zFract="0.19037444"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25219"
                           xFract="0.50381398"
                           y3="6.31035"
                           yFract="0.7476718"
                           z3="8.50024"
                           zFract="0.38254905"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13078"
                           xFract="0.25246209"
                           y3="8.43813"
                           yFract="0.99977844"
                           z3="4.19342"
                           zFract="0.18872277"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25021"
                           xFract="0.50357938"
                           y3="2.13547"
                           yFract="0.25301777"
                           z3="8.56589"
                           zFract="0.3855036"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08376"
                           xFract="0.246891"
                           y3="2.12456"
                           yFract="0.25172512"
                           z3="6.41922"
                           zFract="0.28889379"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22374"
                           xFract="0.50044313"
                           y3="6.31182"
                           yFract="0.74784597"
                           z3="4.23891"
                           zFract="0.19077003"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42431"
                           xFract="0.998141"
                           y3="4.22044"
                           yFract="0.50005213"
                           z3="6.39119"
                           zFract="0.28763231"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.10035"
                           xFract="0.24885664"
                           y3="4.21182"
                           yFract="0.49903081"
                           z3="8.66427"
                           zFract="0.38993114"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.01166"
                           xFract="0.00138152"
                           y3="6.23942"
                           yFract="0.73926777"
                           z3="8.65337"
                           zFract="0.38944059"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34435"
                           xFract="0.75170024"
                           y3="6.30985"
                           yFract="0.74761256"
                           z3="6.39145"
                           zFract="0.28764401"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37603"
                           xFract="0.75545379"
                           y3="2.12886"
                           yFract="0.2522346"
                           z3="6.44393"
                           zFract="0.29000585"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21536"
                           xFract="0.49945024"
                           y3="0.00039"
                           yFract="0.00004621"
                           z3="6.35874"
                           zFract="0.28617192"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01943"
                           xFract="0.00230213"
                           y3="2.21022"
                           yFract="0.26187441"
                           z3="8.68369"
                           zFract="0.39080513"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00169"
                           xFract="0.00020024"
                           y3="2.13942"
                           yFract="0.25348578"
                           z3="4.2287"
                           zFract="0.19031053"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06175"
                           xFract="0.24428318"
                           y3="6.28687"
                           yFract="0.74488981"
                           z3="6.44389"
                           zFract="0.29000405"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01063"
                           xFract="0.00125948"
                           y3="6.2984"
                           yFract="0.74625592"
                           z3="4.19554"
                           zFract="0.18881818"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23216"
                           xFract="0.50144076"
                           y3="2.1149"
                           yFract="0.25058057"
                           z3="4.27612"
                           zFract="0.19244464"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.24269"
                           xFract="0.73965521"
                           y3="0.04966"
                           yFract="0.00588389"
                           z3="8.4348"
                           zFract="0.37960396"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.28182"
                           xFract="0.27035782"
                           y3="0.00475"
                           yFract="0.0005628"
                           z3="8.4446"
                           zFract="0.380045"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19862"
                           xFract="0.49746682"
                           y3="4.20207"
                           yFract="0.49787559"
                           z3="6.39652"
                           zFract="0.28787219"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31395"
                           xFract="0.74809834"
                           y3="0.00872"
                           yFract="0.00103318"
                           z3="4.21525"
                           zFract="0.18970522"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02717"
                           xFract="0.00321919"
                           y3="2.02334"
                           yFract="0.23973223"
                           z3="6.31575"
                           zFract="0.28423717"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.01078"
                           xFract="0.23824408"
                           y3="0.01016"
                           yFract="0.00120379"
                           z3="6.32824"
                           zFract="0.28479928"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02202"
                           xFract="0.002609"
                           y3="0.00552"
                           yFract="0.00065403"
                           z3="4.18022"
                           zFract="0.18812871"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29263"
                           xFract="0.9825391"
                           y3="8.38351"
                           yFract="0.99330687"
                           z3="8.90028"
                           zFract="0.40055266"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14495"
                           xFract="0.254141"
                           y3="2.10409"
                           yFract="0.24929976"
                           z3="4.25275"
                           zFract="0.19139289"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13772"
                           xFract="0.25328436"
                           y3="2.08605"
                           yFract="0.24716232"
                           z3="8.54788"
                           zFract="0.38469307"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19621"
                           xFract="0.49718128"
                           y3="2.00584"
                           yFract="0.23765877"
                           z3="6.4593"
                           zFract="0.29069757"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.46608"
                           xFract="0.76612322"
                           y3="0.09326"
                           yFract="0.01104976"
                           z3="6.35119"
                           zFract="0.28583213"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21378"
                           xFract="0.49926303"
                           y3="8.39737"
                           yFract="0.99494905"
                           z3="4.13485"
                           zFract="0.18608686"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33265"
                           xFract="0.51334716"
                           y3="8.42677"
                           yFract="0.99843246"
                           z3="8.81196"
                           zFract="0.39657786"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31037"
                           xFract="0.74767417"
                           y3="2.18574"
                           yFract="0.25897393"
                           z3="4.13536"
                           zFract="0.18610981"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33045"
                           xFract="0.75005332"
                           y3="2.25671"
                           yFract="0.2673827"
                           z3="8.72673"
                           zFract="0.39274212"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40509"
                           xFract="0.99586374"
                           y3="6.44875"
                           yFract="0.76406991"
                           z3="6.27661"
                           zFract="0.2824757"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.09179"
                           xFract="0.24784242"
                           y3="4.20475"
                           yFract="0.49819313"
                           z3="6.28036"
                           zFract="0.28264446"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00288"
                           xFract="0.00034123"
                           y3="4.21831"
                           yFract="0.49979976"
                           z3="4.32486"
                           zFract="0.19463816"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.33666"
                           xFract="0.98775592"
                           y3="4.23755"
                           yFract="0.50207938"
                           z3="8.45347"
                           zFract="0.38044419"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.16044"
                           xFract="0.2559763"
                           y3="6.32397"
                           yFract="0.74928555"
                           z3="4.18583"
                           zFract="0.18838119"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14666"
                           xFract="0.2543436"
                           y3="6.34931"
                           yFract="0.75228791"
                           z3="8.56864"
                           zFract="0.38562736"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24066"
                           xFract="0.50244787"
                           y3="6.42564"
                           yFract="0.76133175"
                           z3="6.38124"
                           zFract="0.28718452"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32324"
                           xFract="0.74919905"
                           y3="4.12856"
                           yFract="0.48916588"
                           z3="6.28851"
                           zFract="0.28301125"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21088"
                           xFract="0.49891943"
                           y3="4.24171"
                           yFract="0.50257227"
                           z3="4.23648"
                           zFract="0.19066067"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29154"
                           xFract="0.5084763"
                           y3="4.22224"
                           yFract="0.5002654"
                           z3="8.52122"
                           zFract="0.38349325"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28857"
                           xFract="0.74509123"
                           y3="6.24686"
                           yFract="0.74014929"
                           z3="4.25818"
                           zFract="0.19163726"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33428"
                           xFract="0.75050711"
                           y3="6.16423"
                           yFract="0.730359"
                           z3="8.47428"
                           zFract="0.38138074"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.42495"
                           xFract="0.99821682"
                           y3="0.0087"
                           yFract="0.00103081"
                           z3="9.8945"
                           zFract="0.44529703"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32516"
                           xFract="0.74942654"
                           y3="4.21049"
                           yFract="0.49887322"
                           z3="4.22106"
                           zFract="0.1899667"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01287"
                           xFract="0.00152488"
                           y3="0.01868"
                           yFract="0.00221327"
                           z3="6.2281"
                           zFract="0.28029253"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32838"
                           xFract="0.74980806"
                           y3="4.20038"
                           yFract="0.49767536"
                           z3="8.49652"
                           zFract="0.38238164"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11186"
                           xFract="0.25022038"
                           y3="4.21682"
                           yFract="0.49962322"
                           z3="4.22842"
                           zFract="0.19029793"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25452"
                           xFract="0.50409005"
                           y3="6.31222"
                           yFract="0.74789336"
                           z3="8.49876"
                           zFract="0.38248245"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13108"
                           xFract="0.25249763"
                           y3="8.43802"
                           yFract="0.9997654"
                           z3="4.19221"
                           zFract="0.18866832"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25176"
                           xFract="0.50376303"
                           y3="2.13339"
                           yFract="0.25277133"
                           z3="8.56531"
                           zFract="0.3854775"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08527"
                           xFract="0.24706991"
                           y3="2.12548"
                           yFract="0.25183412"
                           z3="6.41533"
                           zFract="0.28871872"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22397"
                           xFract="0.50047038"
                           y3="6.31317"
                           yFract="0.74800592"
                           z3="4.23913"
                           zFract="0.19077993"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42365"
                           xFract="0.9980628"
                           y3="4.2205"
                           yFract="0.50005924"
                           z3="6.39359"
                           zFract="0.28774032"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09892"
                           xFract="0.2486872"
                           y3="4.21188"
                           yFract="0.49903791"
                           z3="8.66248"
                           zFract="0.38985059"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0050"
                           xFract="0.00059242"
                           y3="6.24156"
                           yFract="0.73952133"
                           z3="8.65742"
                           zFract="0.38962286"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34347"
                           xFract="0.75159597"
                           y3="6.31048"
                           yFract="0.7476872"
                           z3="6.38925"
                           zFract="0.287545"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37482"
                           xFract="0.75531043"
                           y3="2.12767"
                           yFract="0.2520936"
                           z3="6.44402"
                           zFract="0.2900099"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.21819"
                           xFract="0.49978555"
                           y3="0.00042"
                           yFract="0.00004976"
                           z3="6.35736"
                           zFract="0.28610981"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01392"
                           xFract="0.00164929"
                           y3="2.20723"
                           yFract="0.26152014"
                           z3="8.68547"
                           zFract="0.39088524"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00178"
                           xFract="0.0002109"
                           y3="2.14009"
                           yFract="0.25356517"
                           z3="4.22947"
                           zFract="0.19034518"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06287"
                           xFract="0.24441588"
                           y3="6.28551"
                           yFract="0.74472867"
                           z3="6.44057"
                           zFract="0.28985464"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01073"
                           xFract="0.00127133"
                           y3="6.29801"
                           yFract="0.74620972"
                           z3="4.1970"
                           zFract="0.18888389"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23326"
                           xFract="0.50157109"
                           y3="2.11349"
                           yFract="0.25041351"
                           z3="4.27641"
                           zFract="0.1924577"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.25554"
                           xFract="0.74117773"
                           y3="0.0512"
                           yFract="0.00606635"
                           z3="8.44337"
                           zFract="0.37998965"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.27748"
                           xFract="0.2698436"
                           y3="0.0041"
                           yFract="0.00048578"
                           z3="8.44566"
                           zFract="0.38009271"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19838"
                           xFract="0.49743839"
                           y3="4.20193"
                           yFract="0.497859"
                           z3="6.39898"
                           zFract="0.2879829"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31447"
                           xFract="0.74815995"
                           y3="0.00845"
                           yFract="0.00100118"
                           z3="4.21341"
                           zFract="0.18962241"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02774"
                           xFract="0.00328673"
                           y3="2.01948"
                           yFract="0.23927488"
                           z3="6.31825"
                           zFract="0.28434968"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.00732"
                           xFract="0.23783412"
                           y3="0.01057"
                           yFract="0.00125237"
                           z3="6.33517"
                           zFract="0.28511116"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02405"
                           xFract="0.00284953"
                           y3="0.00565"
                           yFract="0.00066943"
                           z3="4.18204"
                           zFract="0.18821062"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29603"
                           xFract="0.98294194"
                           y3="8.3803"
                           yFract="0.99292654"
                           z3="8.92552"
                           zFract="0.40168857"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14424"
                           xFract="0.25405687"
                           y3="2.10504"
                           yFract="0.24941232"
                           z3="4.2523"
                           zFract="0.19137264"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.13332"
                           xFract="0.25276303"
                           y3="2.08031"
                           yFract="0.24648223"
                           z3="8.54666"
                           zFract="0.38463816"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19772"
                           xFract="0.49736019"
                           y3="2.00535"
                           yFract="0.23760071"
                           z3="6.4620"
                           zFract="0.29081908"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.47152"
                           xFract="0.76676777"
                           y3="0.0928"
                           yFract="0.01099526"
                           z3="6.36043"
                           zFract="0.28624797"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21336"
                           xFract="0.49921327"
                           y3="8.39788"
                           yFract="0.99500948"
                           z3="4.13328"
                           zFract="0.1860162"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32983"
                           xFract="0.51301303"
                           y3="8.42631"
                           yFract="0.99837796"
                           z3="8.81623"
                           zFract="0.39677003"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31103"
                           xFract="0.74775237"
                           y3="2.18685"
                           yFract="0.25910545"
                           z3="4.13526"
                           zFract="0.18610531"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.33729"
                           xFract="0.75086374"
                           y3="2.26071"
                           yFract="0.26785664"
                           z3="8.72563"
                           zFract="0.39269262"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4062"
                           xFract="0.99599526"
                           y3="6.45476"
                           yFract="0.76478199"
                           z3="6.27905"
                           zFract="0.28258551"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08996"
                           xFract="0.24762559"
                           y3="4.20413"
                           yFract="0.49811967"
                           z3="6.28041"
                           zFract="0.28264671"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00212"
                           xFract="0.00025118"
                           y3="4.2181"
                           yFract="0.49977488"
                           z3="4.32497"
                           zFract="0.19464311"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.33693"
                           xFract="0.98778791"
                           y3="4.23909"
                           yFract="0.50226185"
                           z3="8.45395"
                           zFract="0.3804658"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15927"
                           xFract="0.25583768"
                           y3="6.32325"
                           yFract="0.74920024"
                           z3="4.18547"
                           zFract="0.18836499"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.14409"
                           xFract="0.2540391"
                           y3="6.3536"
                           yFract="0.75279621"
                           z3="8.56681"
                           zFract="0.385545"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24011"
                           xFract="0.5023827"
                           y3="6.4259"
                           yFract="0.76136256"
                           z3="6.38359"
                           zFract="0.28729028"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32268"
                           xFract="0.7491327"
                           y3="4.12752"
                           yFract="0.48904265"
                           z3="6.28803"
                           zFract="0.28298965"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21178"
                           xFract="0.49902607"
                           y3="4.24174"
                           yFract="0.50257583"
                           z3="4.2367"
                           zFract="0.19067057"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29214"
                           xFract="0.50854739"
                           y3="4.22231"
                           yFract="0.5002737"
                           z3="8.52232"
                           zFract="0.38354275"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.28924"
                           xFract="0.74517062"
                           y3="6.24547"
                           yFract="0.7399846"
                           z3="4.26009"
                           zFract="0.19172322"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.33927"
                           xFract="0.75109834"
                           y3="6.16022"
                           yFract="0.72988389"
                           z3="8.47198"
                           zFract="0.38127723"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.41527"
                           xFract="0.99706991"
                           y3="0.01124"
                           yFract="0.00133175"
                           z3="9.94714"
                           zFract="0.44766607"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32892"
                           xFract="0.74987204"
                           y3="4.21081"
                           yFract="0.49891114"
                           z3="4.22335"
                           zFract="0.19006976"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01223"
                           xFract="0.00144905"
                           y3="0.02102"
                           yFract="0.00249052"
                           z3="6.22742"
                           zFract="0.28026193"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32653"
                           xFract="0.74958886"
                           y3="4.2003"
                           yFract="0.49766588"
                           z3="8.4925"
                           zFract="0.38220072"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10743"
                           xFract="0.2496955"
                           y3="4.21724"
                           yFract="0.49967299"
                           z3="4.22552"
                           zFract="0.19016742"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25849"
                           xFract="0.50456043"
                           y3="6.31539"
                           yFract="0.74826896"
                           z3="8.49624"
                           zFract="0.38236904"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1316"
                           xFract="0.25255924"
                           y3="8.43784"
                           yFract="0.99974408"
                           z3="4.19015"
                           zFract="0.18857561"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25441"
                           xFract="0.50407701"
                           y3="2.12984"
                           yFract="0.25235071"
                           z3="8.56431"
                           zFract="0.38543249"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08785"
                           xFract="0.24737559"
                           y3="2.12703"
                           yFract="0.25201777"
                           z3="6.40872"
                           zFract="0.28842124"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22436"
                           xFract="0.50051659"
                           y3="6.31546"
                           yFract="0.74827725"
                           z3="4.2395"
                           zFract="0.19079658"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42255"
                           xFract="0.99793246"
                           y3="4.22059"
                           yFract="0.50006991"
                           z3="6.39769"
                           zFract="0.28792484"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09649"
                           xFract="0.24839929"
                           y3="4.21199"
                           yFract="0.49905095"
                           z3="8.65943"
                           zFract="0.38971332"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00634"
                           xFract="-0.00075118"
                           y3="6.24521"
                           yFract="0.73995379"
                           z3="8.66431"
                           zFract="0.38993294"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34197"
                           xFract="0.75141825"
                           y3="6.31156"
                           yFract="0.74781517"
                           z3="6.3855"
                           zFract="0.28737624"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37277"
                           xFract="0.75506754"
                           y3="2.12566"
                           yFract="0.25185545"
                           z3="6.44417"
                           zFract="0.29001665"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2230"
                           xFract="0.50035545"
                           y3="0.00046"
                           yFract="0.0000545"
                           z3="6.3550"
                           zFract="0.2860036"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00454"
                           xFract="0.00053791"
                           y3="2.20213"
                           yFract="0.26091588"
                           z3="8.68852"
                           zFract="0.3910225"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00192"
                           xFract="0.00022749"
                           y3="2.14123"
                           yFract="0.25370024"
                           z3="4.23079"
                           zFract="0.19040459"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06477"
                           xFract="0.244641"
                           y3="6.28318"
                           yFract="0.74445261"
                           z3="6.43492"
                           zFract="0.28960036"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0109"
                           xFract="0.00129147"
                           y3="6.29735"
                           yFract="0.74613152"
                           z3="4.1995"
                           zFract="0.1889964"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23515"
                           xFract="0.50179502"
                           y3="2.11108"
                           yFract="0.25012796"
                           z3="4.27692"
                           zFract="0.19248065"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.27742"
                           xFract="0.74377014"
                           y3="0.05382"
                           yFract="0.00637678"
                           z3="8.45798"
                           zFract="0.38064716"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.27008"
                           xFract="0.26896682"
                           y3="0.0030"
                           yFract="0.00035545"
                           z3="8.44746"
                           zFract="0.38017372"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19796"
                           xFract="0.49738863"
                           y3="4.20169"
                           yFract="0.49783057"
                           z3="6.40318"
                           zFract="0.28817192"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31534"
                           xFract="0.74826303"
                           y3="0.00799"
                           yFract="0.00094668"
                           z3="4.21028"
                           zFract="0.18948155"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           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="2.0129"
                           yFract="0.23849526"
                           z3="6.3225"
                           zFract="0.28454095"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="2.00143"
                           xFract="0.23713626"
                           y3="0.01125"
                           yFract="0.00133294"
                           z3="6.34698"
                           zFract="0.28564266"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02751"
                           xFract="0.00325948"
                           y3="0.00588"
                           yFract="0.00069668"
                           z3="4.18515"
                           zFract="0.18835059"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3018"
                           xFract="0.98362559"
                           y3="8.37485"
                           yFract="0.99228081"
                           z3="8.96851"
                           zFract="0.40362331"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14304"
                           xFract="0.25391469"
                           y3="2.10665"
                           yFract="0.24960308"
                           z3="4.25154"
                           zFract="0.19133843"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12584"
                           xFract="0.25187678"
                           y3="2.07053"
                           yFract="0.24532346"
                           z3="8.54457"
                           zFract="0.3845441"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20029"
                           xFract="0.49766469"
                           y3="2.00451"
                           yFract="0.23750118"
                           z3="6.4666"
                           zFract="0.2910261"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4808"
                           xFract="0.7678673"
                           y3="0.09203"
                           yFract="0.01090403"
                           z3="6.37617"
                           zFract="0.28695635"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21264"
                           xFract="0.49912796"
                           y3="8.39874"
                           yFract="0.99511137"
                           z3="4.13062"
                           zFract="0.18589649"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32503"
                           xFract="0.51244431"
                           y3="8.42553"
                           yFract="0.99828555"
                           z3="8.8235"
                           zFract="0.39709721"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31216"
                           xFract="0.74788626"
                           y3="2.18875"
                           yFract="0.25933057"
                           z3="4.13509"
                           zFract="0.18609766"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.34894"
                           xFract="0.75224408"
                           y3="2.2675"
                           yFract="0.26866114"
                           z3="8.72377"
                           zFract="0.39260891"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40809"
                           xFract="0.99621919"
                           y3="6.46499"
                           yFract="0.76599408"
                           z3="6.28322"
                           zFract="0.28277318"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08684"
                           xFract="0.24725592"
                           y3="4.20308"
                           yFract="0.49799526"
                           z3="6.28048"
                           zFract="0.28264986"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00082"
                           xFract="0.00009716"
                           y3="4.21774"
                           yFract="0.49973223"
                           z3="4.32515"
                           zFract="0.19465122"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3374"
                           xFract="0.9878436"
                           y3="4.24171"
                           yFract="0.50257227"
                           z3="8.45476"
                           zFract="0.38050225"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15727"
                           xFract="0.25560071"
                           y3="6.32202"
                           yFract="0.7490545"
                           z3="4.18486"
                           zFract="0.18833753"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1397"
                           xFract="0.25351896"
                           y3="6.36092"
                           yFract="0.75366351"
                           z3="8.56368"
                           zFract="0.38540414"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23918"
                           xFract="0.50227251"
                           y3="6.42635"
                           yFract="0.76141588"
                           z3="6.3876"
                           zFract="0.28747075"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32173"
                           xFract="0.74902014"
                           y3="4.12575"
                           yFract="0.48883294"
                           z3="6.28722"
                           zFract="0.2829532"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21332"
                           xFract="0.49920853"
                           y3="4.24178"
                           yFract="0.50258057"
                           z3="4.23706"
                           zFract="0.19068677"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29318"
                           xFract="0.50867062"
                           y3="4.22242"
                           yFract="0.50028673"
                           z3="8.52418"
                           zFract="0.38362646"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29037"
                           xFract="0.7453045"
                           y3="6.2431"
                           yFract="0.73970379"
                           z3="4.26335"
                           zFract="0.19186994"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34776"
                           xFract="0.75210427"
                           y3="6.15341"
                           yFract="0.72907701"
                           z3="8.46805"
                           zFract="0.38110036"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.40561"
                           xFract="0.99592536"
                           y3="0.01053"
                           yFract="0.00124763"
                           z3="9.96066"
                           zFract="0.44827453"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32974"
                           xFract="0.74996919"
                           y3="4.21069"
                           yFract="0.49889692"
                           z3="4.2233"
                           zFract="0.19006751"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01539"
                           xFract="0.00182346"
                           y3="0.02226"
                           yFract="0.00263744"
                           z3="6.23372"
                           zFract="0.28054545"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32555"
                           xFract="0.74947275"
                           y3="4.20033"
                           yFract="0.49766943"
                           z3="8.49217"
                           zFract="0.38218587"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10603"
                           xFract="0.24952962"
                           y3="4.21735"
                           yFract="0.49968602"
                           z3="4.22329"
                           zFract="0.19006706"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25979"
                           xFract="0.50471445"
                           y3="6.31655"
                           yFract="0.7484064"
                           z3="8.49455"
                           zFract="0.38229298"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1338"
                           xFract="0.25281991"
                           y3="8.43775"
                           yFract="0.99973341"
                           z3="4.19251"
                           zFract="0.18868182"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25514"
                           xFract="0.50416351"
                           y3="2.12833"
                           yFract="0.2521718"
                           z3="8.5630"
                           zFract="0.38537354"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08864"
                           xFract="0.24746919"
                           y3="2.12608"
                           yFract="0.25190521"
                           z3="6.40734"
                           zFract="0.28835914"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22443"
                           xFract="0.50052488"
                           y3="6.31523"
                           yFract="0.74825"
                           z3="4.23953"
                           zFract="0.19079793"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42187"
                           xFract="0.9978519"
                           y3="4.22039"
                           yFract="0.50004621"
                           z3="6.39813"
                           zFract="0.28794464"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09413"
                           xFract="0.24811967"
                           y3="4.21173"
                           yFract="0.49902014"
                           z3="8.6576"
                           zFract="0.38963096"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.0102"
                           xFract="-0.00120853"
                           y3="6.24556"
                           yFract="0.73999526"
                           z3="8.66987"
                           zFract="0.39018317"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34202"
                           xFract="0.75142417"
                           y3="6.31249"
                           yFract="0.74792536"
                           z3="6.38378"
                           zFract="0.28729883"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37193"
                           xFract="0.75496801"
                           y3="2.12416"
                           yFract="0.25167773"
                           z3="6.44369"
                           zFract="0.28999505"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22543"
                           xFract="0.50064336"
                           y3="0.00045"
                           yFract="0.00005332"
                           z3="6.35656"
                           zFract="0.28607381"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00174"
                           xFract="0.00020616"
                           y3="2.20203"
                           yFract="0.26090403"
                           z3="8.69055"
                           zFract="0.39111386"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00136"
                           xFract="0.00016114"
                           y3="2.14437"
                           yFract="0.25407227"
                           z3="4.23306"
                           zFract="0.19050675"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06547"
                           xFract="0.24472393"
                           y3="6.28363"
                           yFract="0.74450592"
                           z3="6.43309"
                           zFract="0.289518"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01053"
                           xFract="0.00124763"
                           y3="6.29482"
                           yFract="0.74583175"
                           z3="4.20215"
                           zFract="0.18911566"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23631"
                           xFract="0.50193246"
                           y3="2.11078"
                           yFract="0.25009242"
                           z3="4.27693"
                           zFract="0.1924811"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.28913"
                           xFract="0.74515758"
                           y3="0.05556"
                           yFract="0.00658294"
                           z3="8.46848"
                           zFract="0.38111971"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.26487"
                           xFract="0.26834953"
                           y3="0.00189"
                           yFract="0.00022393"
                           z3="8.4519"
                           zFract="0.38037354"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19744"
                           xFract="0.49732701"
                           y3="4.20176"
                           yFract="0.49783886"
                           z3="6.40631"
                           zFract="0.28831278"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31437"
                           xFract="0.7481481"
                           y3="0.00782"
                           yFract="0.00092654"
                           z3="4.21097"
                           zFract="0.1895126"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02842"
                           xFract="0.0033673"
                           y3="2.01154"
                           yFract="0.23833412"
                           z3="6.32303"
                           zFract="0.28456481"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99813"
                           xFract="0.23674526"
                           y3="0.01146"
                           yFract="0.00135782"
                           z3="6.34848"
                           zFract="0.28571017"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02774"
                           xFract="0.00328673"
                           y3="0.00593"
                           yFract="0.00070261"
                           z3="4.18312"
                           zFract="0.18825923"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30649"
                           xFract="0.98418128"
                           y3="8.3733"
                           yFract="0.99209716"
                           z3="9.00997"
                           zFract="0.4054892"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14235"
                           xFract="0.25383294"
                           y3="2.10515"
                           yFract="0.24942536"
                           z3="4.25224"
                           zFract="0.19136994"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12109"
                           xFract="0.25131398"
                           y3="2.06589"
                           yFract="0.2447737"
                           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="4.20141"
                           xFract="0.49779739"
                           y3="2.00402"
                           yFract="0.23744313"
                           z3="6.46826"
                           zFract="0.29110081"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48469"
                           xFract="0.7683282"
                           y3="0.09136"
                           yFract="0.01082464"
                           z3="6.38562"
                           zFract="0.28738164"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21362"
                           xFract="0.49924408"
                           y3="8.39932"
                           yFract="0.99518009"
                           z3="4.13185"
                           zFract="0.18595185"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32423"
                           xFract="0.51234953"
                           y3="8.42559"
                           yFract="0.99829265"
                           z3="8.82547"
                           zFract="0.39718587"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31359"
                           xFract="0.74805569"
                           y3="2.18688"
                           yFract="0.259109"
                           z3="4.13582"
                           zFract="0.18613051"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35476"
                           xFract="0.75293365"
                           y3="2.26797"
                           yFract="0.26871682"
                           z3="8.72345"
                           zFract="0.39259451"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40894"
                           xFract="0.99631991"
                           y3="6.46868"
                           yFract="0.76643128"
                           z3="6.2841"
                           zFract="0.28281278"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08471"
                           xFract="0.24700355"
                           y3="4.20237"
                           yFract="0.49791114"
                           z3="6.27999"
                           zFract="0.28262781"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00016"
                           xFract="0.00001896"
                           y3="4.21795"
                           yFract="0.49975711"
                           z3="4.32627"
                           zFract="0.19470162"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.34048"
                           xFract="0.98820853"
                           y3="4.24225"
                           yFract="0.50263626"
                           z3="8.45711"
                           zFract="0.38060801"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15632"
                           xFract="0.25548815"
                           y3="6.32367"
                           yFract="0.74925"
                           z3="4.18575"
                           zFract="0.18837759"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13639"
                           xFract="0.25312678"
                           y3="6.36514"
                           yFract="0.75416351"
                           z3="8.56256"
                           zFract="0.38535374"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23884"
                           xFract="0.50223223"
                           y3="6.42652"
                           yFract="0.76143602"
                           z3="6.38861"
                           zFract="0.2875162"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32265"
                           xFract="0.74912915"
                           y3="4.12427"
                           yFract="0.48865758"
                           z3="6.28577"
                           zFract="0.28288794"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21355"
                           xFract="0.49923578"
                           y3="4.24163"
                           yFract="0.5025628"
                           z3="4.23796"
                           zFract="0.19072727"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29492"
                           xFract="0.50887678"
                           y3="4.22196"
                           yFract="0.50023223"
                           z3="8.52443"
                           zFract="0.38363771"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29136"
                           xFract="0.7454218"
                           y3="6.2447"
                           yFract="0.73989336"
                           z3="4.26561"
                           zFract="0.19197165"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35044"
                           xFract="0.7524218"
                           y3="6.15342"
                           yFract="0.7290782"
                           z3="8.46582"
                           zFract="0.3810"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.40835"
                           xFract="0.99625"
                           y3="0.01073"
                           yFract="0.00127133"
                           z3="9.95683"
                           zFract="0.44810216"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32951"
                           xFract="0.74994194"
                           y3="4.21072"
                           yFract="0.49890047"
                           z3="4.22332"
                           zFract="0.19006841"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.0145"
                           xFract="0.00171801"
                           y3="0.02191"
                           yFract="0.00259597"
                           z3="6.23193"
                           zFract="0.2804649"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32583"
                           xFract="0.74950592"
                           y3="4.20032"
                           yFract="0.49766825"
                           z3="8.49226"
                           zFract="0.38218992"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10643"
                           xFract="0.24957701"
                           y3="4.21732"
                           yFract="0.49968246"
                           z3="4.22392"
                           zFract="0.19009541"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25942"
                           xFract="0.50467062"
                           y3="6.31622"
                           yFract="0.7483673"
                           z3="8.49503"
                           zFract="0.38231458"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13317"
                           xFract="0.25274526"
                           y3="8.43778"
                           yFract="0.99973697"
                           z3="4.19184"
                           zFract="0.18865167"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25494"
                           xFract="0.50413981"
                           y3="2.12876"
                           yFract="0.25222275"
                           z3="8.56338"
                           zFract="0.38539064"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08841"
                           xFract="0.24744194"
                           y3="2.12635"
                           yFract="0.2519372"
                           z3="6.40773"
                           zFract="0.28837669"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22441"
                           xFract="0.50052251"
                           y3="6.31529"
                           yFract="0.74825711"
                           z3="4.23952"
                           zFract="0.19079748"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42206"
                           xFract="0.99787441"
                           y3="4.22045"
                           yFract="0.50005332"
                           z3="6.39801"
                           zFract="0.28793924"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0948"
                           xFract="0.24819905"
                           y3="4.21181"
                           yFract="0.49902962"
                           z3="8.65812"
                           zFract="0.38965437"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00911"
                           xFract="-0.00107938"
                           y3="6.24546"
                           yFract="0.73998341"
                           z3="8.6683"
                           zFract="0.39011251"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3420"
                           xFract="0.7514218"
                           y3="6.31223"
                           yFract="0.74789455"
                           z3="6.38427"
                           zFract="0.28732088"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37217"
                           xFract="0.75499645"
                           y3="2.12458"
                           yFract="0.25172749"
                           z3="6.44383"
                           zFract="0.29000135"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22474"
                           xFract="0.50056161"
                           y3="0.00045"
                           yFract="0.00005332"
                           z3="6.35612"
                           zFract="0.28605401"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00253"
                           xFract="0.00029976"
                           y3="2.20206"
                           yFract="0.26090758"
                           z3="8.68998"
                           zFract="0.39108821"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00152"
                           xFract="0.00018009"
                           y3="2.14348"
                           yFract="0.25396682"
                           z3="4.23242"
                           zFract="0.19047795"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06527"
                           xFract="0.24470024"
                           y3="6.2835"
                           yFract="0.74449052"
                           z3="6.43361"
                           zFract="0.2895414"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01063"
                           xFract="0.00125948"
                           y3="6.29554"
                           yFract="0.74591706"
                           z3="4.2014"
                           zFract="0.18908191"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23598"
                           xFract="0.50189336"
                           y3="2.11087"
                           yFract="0.25010308"
                           z3="4.27692"
                           zFract="0.19248065"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.28581"
                           xFract="0.74476422"
                           y3="0.05507"
                           yFract="0.00652488"
                           z3="8.4655"
                           zFract="0.3809856"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.26635"
                           xFract="0.26852488"
                           y3="0.00221"
                           yFract="0.00026185"
                           z3="8.45064"
                           zFract="0.38031683"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19759"
                           xFract="0.49734479"
                           y3="4.20174"
                           yFract="0.49783649"
                           z3="6.40542"
                           zFract="0.28827273"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31464"
                           xFract="0.74818009"
                           y3="0.00787"
                           yFract="0.00093246"
                           z3="4.21078"
                           zFract="0.18950405"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0285"
                           xFract="0.00337678"
                           y3="2.01193"
                           yFract="0.23838033"
                           z3="6.32288"
                           zFract="0.28455806"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99907"
                           xFract="0.23685664"
                           y3="0.0114"
                           yFract="0.00135071"
                           z3="6.34805"
                           zFract="0.28569082"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02768"
                           xFract="0.00327962"
                           y3="0.00592"
                           yFract="0.00070142"
                           z3="4.18369"
                           zFract="0.18828488"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30516"
                           xFract="0.9840237"
                           y3="8.37374"
                           yFract="0.99214929"
                           z3="8.99822"
                           zFract="0.4049604"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14255"
                           xFract="0.25385664"
                           y3="2.10557"
                           yFract="0.24947512"
                           z3="4.25204"
                           zFract="0.19136094"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12243"
                           xFract="0.25147275"
                           y3="2.0672"
                           yFract="0.24492891"
                           z3="8.54438"
                           zFract="0.38453555"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20109"
                           xFract="0.49775948"
                           y3="2.00416"
                           yFract="0.23745972"
                           z3="6.46779"
                           zFract="0.29107966"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48359"
                           xFract="0.76819787"
                           y3="0.09155"
                           yFract="0.01084716"
                           z3="6.38294"
                           zFract="0.28726103"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21334"
                           xFract="0.4992109"
                           y3="8.39916"
                           yFract="0.99516114"
                           z3="4.1315"
                           zFract="0.18593609"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32446"
                           xFract="0.51237678"
                           y3="8.42557"
                           yFract="0.99829028"
                           z3="8.82491"
                           zFract="0.39716067"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31319"
                           xFract="0.74800829"
                           y3="2.18741"
                           yFract="0.2591718"
                           z3="4.13561"
                           zFract="0.18612106"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35311"
                           xFract="0.75273815"
                           y3="2.26784"
                           yFract="0.26870142"
                           z3="8.72354"
                           zFract="0.39259856"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4087"
                           xFract="0.99629147"
                           y3="6.46763"
                           yFract="0.76630687"
                           z3="6.28385"
                           zFract="0.28280153"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08532"
                           xFract="0.24707583"
                           y3="4.20257"
                           yFract="0.49793483"
                           z3="6.28013"
                           zFract="0.28263411"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00035"
                           xFract="0.00004147"
                           y3="4.21789"
                           yFract="0.49975"
                           z3="4.32595"
                           zFract="0.19468722"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.33961"
                           xFract="0.98810545"
                           y3="4.2421"
                           yFract="0.50261848"
                           z3="8.45645"
                           zFract="0.38057831"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15659"
                           xFract="0.25552014"
                           y3="6.32321"
                           yFract="0.7491955"
                           z3="4.1855"
                           zFract="0.18836634"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13733"
                           xFract="0.25323815"
                           y3="6.36394"
                           yFract="0.75402133"
                           z3="8.56288"
                           zFract="0.38536814"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23894"
                           xFract="0.50224408"
                           y3="6.42648"
                           yFract="0.76143128"
                           z3="6.38833"
                           zFract="0.2875036"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32239"
                           xFract="0.74909834"
                           y3="4.12469"
                           yFract="0.48870735"
                           z3="6.28618"
                           zFract="0.28290639"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21349"
                           xFract="0.49922867"
                           y3="4.24167"
                           yFract="0.50256754"
                           z3="4.2377"
                           zFract="0.19071557"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29443"
                           xFract="0.50881872"
                           y3="4.22209"
                           yFract="0.50024763"
                           z3="8.52436"
                           zFract="0.38363456"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29108"
                           xFract="0.74538863"
                           y3="6.24425"
                           yFract="0.73984005"
                           z3="4.26497"
                           zFract="0.19194284"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34968"
                           xFract="0.75233175"
                           y3="6.15342"
                           yFract="0.7290782"
                           z3="8.46645"
                           zFract="0.38102835"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.40049"
                           xFract="0.99531872"
                           y3="0.01045"
                           yFract="0.00123815"
                           z3="9.98021"
                           zFract="0.44915437"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32916"
                           xFract="0.74990047"
                           y3="4.21043"
                           yFract="0.49886611"
                           z3="4.22249"
                           zFract="0.19003105"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01838"
                           xFract="0.00217773"
                           y3="0.02279"
                           yFract="0.00270024"
                           z3="6.24003"
                           zFract="0.28082943"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32575"
                           xFract="0.74949645"
                           y3="4.20044"
                           yFract="0.49768246"
                           z3="8.49316"
                           zFract="0.38223042"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10621"
                           xFract="0.24955095"
                           y3="4.21728"
                           yFract="0.49967773"
                           z3="4.22198"
                           zFract="0.1900081"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25979"
                           xFract="0.50471445"
                           y3="6.31713"
                           yFract="0.74847512"
                           z3="8.49365"
                           zFract="0.38225248"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13548"
                           xFract="0.25301896"
                           y3="8.43776"
                           yFract="0.9997346"
                           z3="4.1955"
                           zFract="0.18881638"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25504"
                           xFract="0.50415166"
                           y3="2.12744"
                           yFract="0.25206635"
                           z3="8.56204"
                           zFract="0.38533033"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08866"
                           xFract="0.24747156"
                           y3="2.12453"
                           yFract="0.25172156"
                           z3="6.40814"
                           zFract="0.28839514"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22439"
                           xFract="0.50052014"
                           y3="6.31415"
                           yFract="0.74812204"
                           z3="4.23949"
                           zFract="0.19079613"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42157"
                           xFract="0.99781635"
                           y3="4.22016"
                           yFract="0.50001896"
                           z3="6.39772"
                           zFract="0.28792619"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09227"
                           xFract="0.24789929"
                           y3="4.21143"
                           yFract="0.4989846"
                           z3="8.65659"
                           zFract="0.38958551"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.01037"
                           xFract="-0.00122867"
                           y3="6.24506"
                           yFract="0.73993602"
                           z3="8.67401"
                           zFract="0.39036949"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3426"
                           xFract="0.75149289"
                           y3="6.31318"
                           yFract="0.74800711"
                           z3="6.38328"
                           zFract="0.28727633"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37172"
                           xFract="0.75494313"
                           y3="2.12316"
                           yFract="0.25155924"
                           z3="6.4432"
                           zFract="0.289973"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22656"
                           xFract="0.50077725"
                           y3="0.00037"
                           yFract="0.00004384"
                           z3="6.35937"
                           zFract="0.28620027"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00215"
                           xFract="0.00025474"
                           y3="2.20331"
                           yFract="0.26105569"
                           z3="8.69202"
                           zFract="0.39118002"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0008"
                           xFract="0.00009479"
                           y3="2.14671"
                           yFract="0.25434953"
                           z3="4.23493"
                           zFract="0.19059091"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06563"
                           xFract="0.24474289"
                           y3="6.2848"
                           yFract="0.74464455"
                           z3="6.43308"
                           zFract="0.28951755"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01012"
                           xFract="0.00119905"
                           y3="6.29295"
                           yFract="0.74561019"
                           z3="4.2040"
                           zFract="0.18919892"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23685"
                           xFract="0.50199645"
                           y3="2.11142"
                           yFract="0.25016825"
                           z3="4.27679"
                           zFract="0.1924748"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.29394"
                           xFract="0.74572749"
                           y3="0.05663"
                           yFract="0.00670972"
                           z3="8.47542"
                           zFract="0.38143204"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.26156"
                           xFract="0.26795735"
                           y3="0.00109"
                           yFract="0.00012915"
                           z3="8.45652"
                           zFract="0.38058146"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19696"
                           xFract="0.49727014"
                           y3="4.2019"
                           yFract="0.49785545"
                           z3="6.40809"
                           zFract="0.28839289"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31359"
                           xFract="0.74805569"
                           y3="0.00778"
                           yFract="0.0009218"
                           z3="4.21288"
                           zFract="0.18959856"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02791"
                           xFract="0.00330687"
                           y3="2.01207"
                           yFract="0.23839692"
                           z3="6.32245"
                           zFract="0.2845387"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99659"
                           xFract="0.2365628"
                           y3="0.01149"
                           yFract="0.00136137"
                           z3="6.34639"
                           zFract="0.28561611"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02672"
                           xFract="0.00316588"
                           y3="0.0060"
                           yFract="0.0007109"
                           z3="4.18067"
                           zFract="0.18814896"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30687"
                           xFract="0.9842263"
                           y3="8.37173"
                           yFract="0.99191114"
                           z3="9.02071"
                           zFract="0.40597255"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1422"
                           xFract="0.25381517"
                           y3="2.10328"
                           yFract="0.24920379"
                           z3="4.25318"
                           zFract="0.19141224"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11853"
                           xFract="0.25101066"
                           y3="2.06432"
                           yFract="0.24458768"
                           z3="8.54464"
                           zFract="0.38454725"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2017"
                           xFract="0.49783175"
                           y3="2.00391"
                           yFract="0.23743009"
                           z3="6.46855"
                           zFract="0.29111386"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.48645"
                           xFract="0.76853673"
                           y3="0.09089"
                           yFract="0.01076896"
                           z3="6.39102"
                           zFract="0.28762466"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21491"
                           xFract="0.49939692"
                           y3="8.39958"
                           yFract="0.9952109"
                           z3="4.13409"
                           zFract="0.18605266"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32577"
                           xFract="0.51253199"
                           y3="8.42602"
                           yFract="0.9983436"
                           z3="8.82496"
                           zFract="0.39716292"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31459"
                           xFract="0.74817417"
                           y3="2.18442"
                           yFract="0.25881754"
                           z3="4.13658"
                           zFract="0.18616472"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.35683"
                           xFract="0.75317891"
                           y3="2.2662"
                           yFract="0.26850711"
                           z3="8.72382"
                           zFract="0.39261116"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.40925"
                           xFract="0.99635664"
                           y3="6.46955"
                           yFract="0.76653436"
                           z3="6.28405"
                           zFract="0.28281053"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08362"
                           xFract="0.24687441"
                           y3="4.20192"
                           yFract="0.49785782"
                           z3="6.27939"
                           zFract="0.28260081"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00016"
                           xFract="-0.00001896"
                           y3="4.21832"
                           yFract="0.49980095"
                           z3="4.32727"
                           zFract="0.19474662"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.34344"
                           xFract="0.98855924"
                           y3="4.24211"
                           yFract="0.50261967"
                           z3="8.4591"
                           zFract="0.38069757"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15618"
                           xFract="0.25547156"
                           y3="6.32559"
                           yFract="0.74947749"
                           z3="4.18684"
                           zFract="0.18842664"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13435"
                           xFract="0.25288507"
                           y3="6.36691"
                           yFract="0.75437322"
                           z3="8.56227"
                           zFract="0.38534068"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2388"
                           xFract="0.50222749"
                           y3="6.42639"
                           yFract="0.76142062"
                           z3="6.38834"
                           zFract="0.28750405"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32386"
                           xFract="0.74927251"
                           y3="4.12336"
                           yFract="0.48854976"
                           z3="6.28453"
                           zFract="0.28283213"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21333"
                           xFract="0.49920972"
                           y3="4.2414"
                           yFract="0.50253555"
                           z3="4.23882"
                           zFract="0.19076598"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29609"
                           xFract="0.5090154"
                           y3="4.2214"
                           yFract="0.50016588"
                           z3="8.5242"
                           zFract="0.38362736"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29188"
                           xFract="0.74548341"
                           y3="6.24706"
                           yFract="0.74017299"
                           z3="4.2670"
                           zFract="0.1920342"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35039"
                           xFract="0.75241588"
                           y3="6.1556"
                           yFract="0.72933649"
                           z3="8.46464"
                           zFract="0.38094689"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a39" order="S"/>
                     <bond atomRefs2="a19 a38" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.38229"
                           xFract="0.99316232"
                           y3="0.00979"
                           yFract="0.00115995"
                           z3="10.03442"
                           zFract="0.45159406"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32836"
                           xFract="0.74980569"
                           y3="4.20977"
                           yFract="0.49878791"
                           z3="4.22058"
                           zFract="0.18994509"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02738"
                           xFract="0.00324408"
                           y3="0.02483"
                           yFract="0.00294194"
                           z3="6.25879"
                           zFract="0.28167372"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32556"
                           xFract="0.74947393"
                           y3="4.20072"
                           yFract="0.49771564"
                           z3="8.49524"
                           zFract="0.38232403"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10572"
                           xFract="0.24949289"
                           y3="4.21721"
                           yFract="0.49966943"
                           z3="4.21749"
                           zFract="0.18980603"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26066"
                           xFract="0.50481754"
                           y3="6.31925"
                           yFract="0.7487263"
                           z3="8.49045"
                           zFract="0.38210846"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.14081"
                           xFract="0.25365047"
                           y3="8.43771"
                           yFract="0.99972867"
                           z3="4.2040"
                           zFract="0.18919892"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25528"
                           xFract="0.50418009"
                           y3="2.12438"
                           yFract="0.25170379"
                           z3="8.55896"
                           zFract="0.38519172"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08924"
                           xFract="0.24754028"
                           y3="2.12032"
                           yFract="0.25122275"
                           z3="6.40908"
                           zFract="0.28843744"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22434"
                           xFract="0.50051422"
                           y3="6.3115"
                           yFract="0.74780806"
                           z3="4.23942"
                           zFract="0.19079298"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42042"
                           xFract="0.99768009"
                           y3="4.21951"
                           yFract="0.49994194"
                           z3="6.39706"
                           zFract="0.28789649"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08642"
                           xFract="0.24720616"
                           y3="4.21056"
                           yFract="0.49888152"
                           z3="8.65306"
                           zFract="0.38942664"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.01329"
                           xFract="-0.00157464"
                           y3="6.24414"
                           yFract="0.73982701"
                           z3="8.68727"
                           zFract="0.39096625"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34399"
                           xFract="0.75165758"
                           y3="6.31539"
                           yFract="0.74826896"
                           z3="6.38101"
                           zFract="0.28717417"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37068"
                           xFract="0.75481991"
                           y3="2.11986"
                           yFract="0.25116825"
                           z3="6.44176"
                           zFract="0.28990819"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23077"
                           xFract="0.50127607"
                           y3="0.00019"
                           yFract="0.00002251"
                           z3="6.3669"
                           zFract="0.28653915"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00126"
                           xFract="0.00014929"
                           y3="2.20622"
                           yFract="0.26140047"
                           z3="8.69677"
                           zFract="0.39139379"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00085"
                           xFract="-0.00010071"
                           y3="2.15418"
                           yFract="0.2552346"
                           z3="4.24077"
                           zFract="0.19085374"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06646"
                           xFract="0.24484123"
                           y3="6.28783"
                           yFract="0.74500355"
                           z3="6.43187"
                           zFract="0.2894631"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00892"
                           xFract="0.00105687"
                           y3="6.28694"
                           yFract="0.7448981"
                           z3="4.21005"
                           zFract="0.1894712"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23887"
                           xFract="0.50223578"
                           y3="2.11271"
                           yFract="0.25032109"
                           z3="4.27646"
                           zFract="0.19245995"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31281"
                           xFract="0.74796327"
                           y3="0.06026"
                           yFract="0.00713981"
                           z3="8.49841"
                           zFract="0.3824667"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.25046"
                           xFract="0.26664218"
                           y3="-0.00149"
                           yFract="-0.00017654"
                           z3="8.47014"
                           zFract="0.38119442"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19552"
                           xFract="0.49709953"
                           y3="4.20228"
                           yFract="0.49790047"
                           z3="6.41428"
                           zFract="0.28867147"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31115"
                           xFract="0.74776659"
                           y3="0.00758"
                           yFract="0.0008981"
                           z3="4.21775"
                           zFract="0.18981773"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02655"
                           xFract="0.00314573"
                           y3="2.0124"
                           yFract="0.23843602"
                           z3="6.32145"
                           zFract="0.2844937"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99087"
                           xFract="0.23588507"
                           y3="0.0117"
                           yFract="0.00138626"
                           z3="6.34254"
                           zFract="0.28544284"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0245"
                           xFract="0.00290284"
                           y3="0.0062"
                           yFract="0.0007346"
                           z3="4.17365"
                           zFract="0.18783303"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.31085"
                           xFract="0.98469787"
                           y3="8.36709"
                           yFract="0.99136137"
                           z3="9.07285"
                           zFract="0.40831908"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1414"
                           xFract="0.25372038"
                           y3="2.09797"
                           yFract="0.24857464"
                           z3="4.25581"
                           zFract="0.1915306"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10947"
                           xFract="0.2499372"
                           y3="2.05764"
                           yFract="0.24379621"
                           z3="8.54524"
                           zFract="0.38457426"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2031"
                           xFract="0.49799763"
                           y3="2.00334"
                           yFract="0.23736256"
                           z3="6.47032"
                           zFract="0.29119352"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4931"
                           xFract="0.76932464"
                           y3="0.08938"
                           yFract="0.01059005"
                           z3="6.40975"
                           zFract="0.2884676"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21854"
                           xFract="0.49982701"
                           y3="8.40056"
                           yFract="0.99532701"
                           z3="4.1401"
                           zFract="0.18632313"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32881"
                           xFract="0.51289218"
                           y3="8.42707"
                           yFract="0.99846801"
                           z3="8.82506"
                           zFract="0.39716742"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31786"
                           xFract="0.74856161"
                           y3="2.1775"
                           yFract="0.25799763"
                           z3="4.13883"
                           zFract="0.18626598"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36545"
                           xFract="0.75420024"
                           y3="2.26241"
                           yFract="0.26805806"
                           z3="8.72448"
                           zFract="0.39264086"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41053"
                           xFract="0.99650829"
                           y3="6.4740"
                           yFract="0.76706161"
                           z3="6.2845"
                           zFract="0.28283078"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07969"
                           xFract="0.24640877"
                           y3="4.2004"
                           yFract="0.49767773"
                           z3="6.27768"
                           zFract="0.28252385"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00133"
                           xFract="-0.00015758"
                           y3="4.21933"
                           yFract="0.49992062"
                           z3="4.33035"
                           zFract="0.19488524"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35231"
                           xFract="0.98961019"
                           y3="4.24212"
                           yFract="0.50262085"
                           z3="8.46525"
                           zFract="0.38097435"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15522"
                           xFract="0.25535782"
                           y3="6.33112"
                           yFract="0.7501327"
                           z3="4.18996"
                           zFract="0.18856706"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12744"
                           xFract="0.25206635"
                           y3="6.37378"
                           yFract="0.7551872"
                           z3="8.56087"
                           zFract="0.38527768"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23847"
                           xFract="0.50218839"
                           y3="6.42618"
                           yFract="0.76139573"
                           z3="6.38839"
                           zFract="0.2875063"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32728"
                           xFract="0.74967773"
                           y3="4.12028"
                           yFract="0.48818483"
                           z3="6.28071"
                           zFract="0.28266022"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21296"
                           xFract="0.49916588"
                           y3="4.24076"
                           yFract="0.50245972"
                           z3="4.2414"
                           zFract="0.19088209"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29996"
                           xFract="0.50947393"
                           y3="4.2198"
                           yFract="0.4999763"
                           z3="8.52384"
                           zFract="0.38361116"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29375"
                           xFract="0.74570498"
                           y3="6.25357"
                           yFract="0.74094431"
                           z3="4.27172"
                           zFract="0.19224662"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35201"
                           xFract="0.75260782"
                           y3="6.16066"
                           yFract="0.72993602"
                           z3="8.46044"
                           zFract="0.38075788"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.37813"
                           xFract="0.99266943"
                           y3="0.00983"
                           yFract="0.00116469"
                           z3="10.06473"
                           zFract="0.45295815"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32668"
                           xFract="0.74960664"
                           y3="4.20968"
                           yFract="0.49877725"
                           z3="4.22011"
                           zFract="0.18992394"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02398"
                           xFract="0.00284123"
                           y3="0.02483"
                           yFract="0.00294194"
                           z3="6.26023"
                           zFract="0.28173852"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32961"
                           xFract="0.74995379"
                           y3="4.20087"
                           yFract="0.49773341"
                           z3="8.4967"
                           zFract="0.38238974"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10719"
                           xFract="0.24966706"
                           y3="4.21671"
                           yFract="0.49961019"
                           z3="4.21829"
                           zFract="0.18984203"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26011"
                           xFract="0.50475237"
                           y3="6.32099"
                           yFract="0.74893246"
                           z3="8.48989"
                           zFract="0.38208326"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1389"
                           xFract="0.25342417"
                           y3="8.43794"
                           yFract="0.99975592"
                           z3="4.20518"
                           zFract="0.18925203"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25524"
                           xFract="0.50417536"
                           y3="2.12222"
                           yFract="0.25144787"
                           z3="8.55837"
                           zFract="0.38516517"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08865"
                           xFract="0.24747038"
                           y3="2.11897"
                           yFract="0.2510628"
                           z3="6.4108"
                           zFract="0.28851485"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22439"
                           xFract="0.50052014"
                           y3="6.31065"
                           yFract="0.74770735"
                           z3="4.23979"
                           zFract="0.19080963"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42075"
                           xFract="0.99771919"
                           y3="4.21948"
                           yFract="0.49993839"
                           z3="6.39865"
                           zFract="0.28796805"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08446"
                           xFract="0.24697393"
                           y3="4.21033"
                           yFract="0.49885427"
                           z3="8.65208"
                           zFract="0.38938254"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.01122"
                           xFract="-0.00132938"
                           y3="6.24401"
                           yFract="0.73981161"
                           z3="8.69236"
                           zFract="0.39119532"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34492"
                           xFract="0.75176777"
                           y3="6.31644"
                           yFract="0.74839336"
                           z3="6.38201"
                           zFract="0.28721917"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3708"
                           xFract="0.75483412"
                           y3="2.11878"
                           yFract="0.25104028"
                           z3="6.44199"
                           zFract="0.28991854"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23188"
                           xFract="0.50140758"
                           y3="-0.00028"
                           yFract="-0.00003318"
                           z3="6.37197"
                           zFract="0.28676733"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0044"
                           xFract="0.00052133"
                           y3="2.20654"
                           yFract="0.26143839"
                           z3="8.69963"
                           zFract="0.3915225"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.0006"
                           xFract="-0.00007109"
                           y3="2.15142"
                           yFract="0.25490758"
                           z3="4.24077"
                           zFract="0.19085374"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06624"
                           xFract="0.24481517"
                           y3="6.28883"
                           yFract="0.74512204"
                           z3="6.4326"
                           zFract="0.28949595"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00894"
                           xFract="0.00105924"
                           y3="6.28983"
                           yFract="0.74524052"
                           z3="4.20987"
                           zFract="0.1894631"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23837"
                           xFract="0.50217654"
                           y3="2.11403"
                           yFract="0.25047749"
                           z3="4.27655"
                           zFract="0.192464"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31154"
                           xFract="0.7478128"
                           y3="0.06081"
                           yFract="0.00720498"
                           z3="8.50474"
                           zFract="0.38275158"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.24782"
                           xFract="0.26632938"
                           y3="-0.00168"
                           yFract="-0.00019905"
                           z3="8.47633"
                           zFract="0.381473"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19526"
                           xFract="0.49706872"
                           y3="4.20248"
                           yFract="0.49792417"
                           z3="6.41403"
                           zFract="0.28866022"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31409"
                           xFract="0.74811493"
                           y3="0.00753"
                           yFract="0.00089218"
                           z3="4.22108"
                           zFract="0.1899676"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02688"
                           xFract="0.00318483"
                           y3="2.0125"
                           yFract="0.23844787"
                           z3="6.32217"
                           zFract="0.2845261"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99165"
                           xFract="0.23597749"
                           y3="0.01196"
                           yFract="0.00141706"
                           z3="6.34164"
                           zFract="0.28540234"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0223"
                           xFract="0.00264218"
                           y3="0.00639"
                           yFract="0.00075711"
                           z3="4.17557"
                           zFract="0.18791944"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30911"
                           xFract="0.98449171"
                           y3="8.36487"
                           yFract="0.99109834"
                           z3="9.07234"
                           zFract="0.40829613"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14264"
                           xFract="0.2538673"
                           y3="2.09771"
                           yFract="0.24854384"
                           z3="4.25637"
                           zFract="0.19155581"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1090"
                           xFract="0.24988152"
                           y3="2.05761"
                           yFract="0.24379265"
                           z3="8.54574"
                           zFract="0.38459676"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20257"
                           xFract="0.49793483"
                           y3="2.00434"
                           yFract="0.23748104"
                           z3="6.47038"
                           zFract="0.29119622"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49733"
                           xFract="0.76982583"
                           y3="0.08929"
                           yFract="0.01057938"
                           z3="6.41484"
                           zFract="0.28869667"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21972"
                           xFract="0.49996682"
                           y3="8.40035"
                           yFract="0.99530213"
                           z3="4.14272"
                           zFract="0.18644104"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33269"
                           xFract="0.5133519"
                           y3="8.42807"
                           yFract="0.99858649"
                           z3="8.82212"
                           zFract="0.3970351"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31733"
                           xFract="0.74849882"
                           y3="2.17601"
                           yFract="0.25782109"
                           z3="4.13899"
                           zFract="0.18627318"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36477"
                           xFract="0.75411967"
                           y3="2.26084"
                           yFract="0.26787204"
                           z3="8.72581"
                           zFract="0.39270072"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4112"
                           xFract="0.99658768"
                           y3="6.47469"
                           yFract="0.76714336"
                           z3="6.28628"
                           zFract="0.28291089"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07999"
                           xFract="0.24644431"
                           y3="4.20022"
                           yFract="0.4976564"
                           z3="6.27721"
                           zFract="0.2825027"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00155"
                           xFract="-0.00018365"
                           y3="4.22009"
                           yFract="0.50001066"
                           z3="4.33077"
                           zFract="0.19490414"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35406"
                           xFract="0.98981754"
                           y3="4.24326"
                           yFract="0.50275592"
                           z3="8.4660"
                           zFract="0.3810081"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15647"
                           xFract="0.25550592"
                           y3="6.3311"
                           yFract="0.75013033"
                           z3="4.19064"
                           zFract="0.18859766"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12702"
                           xFract="0.25201659"
                           y3="6.37355"
                           yFract="0.75515995"
                           z3="8.56106"
                           zFract="0.38528623"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23829"
                           xFract="0.50216706"
                           y3="6.42464"
                           yFract="0.76121327"
                           z3="6.38789"
                           zFract="0.2874838"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32792"
                           xFract="0.74975355"
                           y3="4.11966"
                           yFract="0.48811137"
                           z3="6.27982"
                           zFract="0.28262016"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21271"
                           xFract="0.49913626"
                           y3="4.24026"
                           yFract="0.50240047"
                           z3="4.24239"
                           zFract="0.19092664"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29907"
                           xFract="0.50936848"
                           y3="4.21928"
                           yFract="0.49991469"
                           z3="8.52405"
                           zFract="0.38362061"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29282"
                           xFract="0.74559479"
                           y3="6.25492"
                           yFract="0.74110427"
                           z3="4.27271"
                           zFract="0.19229118"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35071"
                           xFract="0.75245379"
                           y3="6.16215"
                           yFract="0.73011256"
                           z3="8.46014"
                           zFract="0.38074437"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.38002"
                           xFract="0.99289336"
                           y3="0.00981"
                           yFract="0.00116232"
                           z3="10.05096"
                           zFract="0.45233843"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32744"
                           xFract="0.74969668"
                           y3="4.20972"
                           yFract="0.49878199"
                           z3="4.22032"
                           zFract="0.18993339"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02553"
                           xFract="0.00302488"
                           y3="0.02483"
                           yFract="0.00294194"
                           z3="6.25957"
                           zFract="0.28170882"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32777"
                           xFract="0.74973578"
                           y3="4.20081"
                           yFract="0.4977263"
                           z3="8.49604"
                           zFract="0.38236004"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10652"
                           xFract="0.24958768"
                           y3="4.21694"
                           yFract="0.49963744"
                           z3="4.21793"
                           zFract="0.18982583"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26036"
                           xFract="0.50478199"
                           y3="6.3202"
                           yFract="0.74883886"
                           z3="8.49014"
                           zFract="0.38209451"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13977"
                           xFract="0.25352725"
                           y3="8.43783"
                           yFract="0.99974289"
                           z3="4.20464"
                           zFract="0.18922772"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25526"
                           xFract="0.50417773"
                           y3="2.1232"
                           yFract="0.25156398"
                           z3="8.55864"
                           zFract="0.38517732"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08892"
                           xFract="0.24750237"
                           y3="2.11958"
                           yFract="0.25113507"
                           z3="6.41002"
                           zFract="0.28847975"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22437"
                           xFract="0.50051777"
                           y3="6.31103"
                           yFract="0.74775237"
                           z3="4.23962"
                           zFract="0.19080198"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.4206"
                           xFract="0.99770142"
                           y3="4.21949"
                           yFract="0.49993957"
                           z3="6.39793"
                           zFract="0.28793564"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08535"
                           xFract="0.24707938"
                           y3="4.21043"
                           yFract="0.49886611"
                           z3="8.65252"
                           zFract="0.38940234"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.01216"
                           xFract="-0.00144076"
                           y3="6.24407"
                           yFract="0.73981872"
                           z3="8.69005"
                           zFract="0.39109136"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3445"
                           xFract="0.75171801"
                           y3="6.31596"
                           yFract="0.74833649"
                           z3="6.38156"
                           zFract="0.28719892"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37075"
                           xFract="0.7548282"
                           y3="2.11927"
                           yFract="0.25109834"
                           z3="6.44189"
                           zFract="0.28991404"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23138"
                           xFract="0.50134834"
                           y3="-0.00007"
                           yFract="-0.00000829"
                           z3="6.36966"
                           zFract="0.28666337"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00297"
                           xFract="0.0003519"
                           y3="2.20639"
                           yFract="0.26142062"
                           z3="8.69833"
                           zFract="0.391464"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00072"
                           xFract="-0.00008531"
                           y3="2.15268"
                           yFract="0.25505687"
                           z3="4.24077"
                           zFract="0.19085374"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06634"
                           xFract="0.24482701"
                           y3="6.28837"
                           yFract="0.74506754"
                           z3="6.43227"
                           zFract="0.2894811"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00893"
                           xFract="0.00105806"
                           y3="6.28851"
                           yFract="0.74508412"
                           z3="4.20995"
                           zFract="0.1894667"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2386"
                           xFract="0.50220379"
                           y3="2.11343"
                           yFract="0.2504064"
                           z3="4.27651"
                           zFract="0.1924622"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31211"
                           xFract="0.74788033"
                           y3="0.06056"
                           yFract="0.00717536"
                           z3="8.50186"
                           zFract="0.38262196"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.24902"
                           xFract="0.26647156"
                           y3="-0.00159"
                           yFract="-0.00018839"
                           z3="8.47352"
                           zFract="0.38134653"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19538"
                           xFract="0.49708294"
                           y3="4.20239"
                           yFract="0.49791351"
                           z3="6.41414"
                           zFract="0.28866517"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31275"
                           xFract="0.74795616"
                           y3="0.00755"
                           yFract="0.00089455"
                           z3="4.21957"
                           zFract="0.18989964"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02673"
                           xFract="0.00316706"
                           y3="2.01246"
                           yFract="0.23844313"
                           z3="6.32184"
                           zFract="0.28451125"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99129"
                           xFract="0.23593483"
                           y3="0.01184"
                           yFract="0.00140284"
                           z3="6.34205"
                           zFract="0.28542079"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0233"
                           xFract="0.00276066"
                           y3="0.00631"
                           yFract="0.00074763"
                           z3="4.1747"
                           zFract="0.18788029"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3099"
                           xFract="0.98458531"
                           y3="8.36588"
                           yFract="0.99121801"
                           z3="9.07257"
                           zFract="0.40830648"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14208"
                           xFract="0.25380095"
                           y3="2.09783"
                           yFract="0.24855806"
                           z3="4.25612"
                           zFract="0.19154455"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.10921"
                           xFract="0.2499064"
                           y3="2.05762"
                           yFract="0.24379384"
                           z3="8.54551"
                           zFract="0.38458641"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20281"
                           xFract="0.49796327"
                           y3="2.00389"
                           yFract="0.23742773"
                           z3="6.47035"
                           zFract="0.29119487"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.49541"
                           xFract="0.76959834"
                           y3="0.08933"
                           yFract="0.01058412"
                           z3="6.41253"
                           zFract="0.28859271"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21918"
                           xFract="0.49990284"
                           y3="8.40045"
                           yFract="0.99531398"
                           z3="4.14153"
                           zFract="0.18638749"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33093"
                           xFract="0.51314336"
                           y3="8.42762"
                           yFract="0.99853318"
                           z3="8.82346"
                           zFract="0.39709541"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31757"
                           xFract="0.74852725"
                           y3="2.17668"
                           yFract="0.25790047"
                           z3="4.13892"
                           zFract="0.18627003"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36508"
                           xFract="0.7541564"
                           y3="2.26155"
                           yFract="0.26795616"
                           z3="8.72521"
                           zFract="0.39267372"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4109"
                           xFract="0.99655213"
                           y3="6.47438"
                           yFract="0.76710664"
                           z3="6.28547"
                           zFract="0.28287444"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.07985"
                           xFract="0.24642773"
                           y3="4.2003"
                           yFract="0.49766588"
                           z3="6.27742"
                           zFract="0.28251215"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00145"
                           xFract="-0.0001718"
                           y3="4.21974"
                           yFract="0.49996919"
                           z3="4.33058"
                           zFract="0.19489559"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35326"
                           xFract="0.98972275"
                           y3="4.24274"
                           yFract="0.50269431"
                           z3="8.46566"
                           zFract="0.3809928"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1559"
                           xFract="0.25543839"
                           y3="6.33111"
                           yFract="0.75013152"
                           z3="4.19033"
                           zFract="0.18858371"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12721"
                           xFract="0.2520391"
                           y3="6.37366"
                           yFract="0.75517299"
                           z3="8.56097"
                           zFract="0.38528218"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23837"
                           xFract="0.50217654"
                           y3="6.42534"
                           yFract="0.76129621"
                           z3="6.38812"
                           zFract="0.28749415"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32763"
                           xFract="0.74971919"
                           y3="4.11994"
                           yFract="0.48814455"
                           z3="6.28023"
                           zFract="0.28263861"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21282"
                           xFract="0.49914929"
                           y3="4.24049"
                           yFract="0.50242773"
                           z3="4.24194"
                           zFract="0.19090639"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29948"
                           xFract="0.50941706"
                           y3="4.21952"
                           yFract="0.49994313"
                           z3="8.52395"
                           zFract="0.38361611"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29324"
                           xFract="0.74564455"
                           y3="6.25431"
                           yFract="0.74103199"
                           z3="4.27226"
                           zFract="0.19227093"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3513"
                           xFract="0.7525237"
                           y3="6.16147"
                           yFract="0.73003199"
                           z3="8.46027"
                           zFract="0.38075023"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.37579"
                           xFract="0.99239218"
                           y3="0.00813"
                           yFract="0.00096327"
                           z3="10.0621"
                           zFract="0.45283978"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32553"
                           xFract="0.74947038"
                           y3="4.20972"
                           yFract="0.49878199"
                           z3="4.22012"
                           zFract="0.18992439"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.0200"
                           xFract="0.00236967"
                           y3="0.02449"
                           yFract="0.00290166"
                           z3="6.25846"
                           zFract="0.28165887"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33288"
                           xFract="0.75034123"
                           y3="4.20093"
                           yFract="0.49774052"
                           z3="8.49762"
                           zFract="0.38243114"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10843"
                           xFract="0.24981398"
                           y3="4.21628"
                           yFract="0.49955924"
                           z3="4.21989"
                           zFract="0.18991404"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25952"
                           xFract="0.50468246"
                           y3="6.32184"
                           yFract="0.74903318"
                           z3="8.48982"
                           zFract="0.38208011"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13642"
                           xFract="0.25313033"
                           y3="8.43811"
                           yFract="0.99977607"
                           z3="4.20473"
                           zFract="0.18923177"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25526"
                           xFract="0.50417773"
                           y3="2.12118"
                           yFract="0.25132464"
                           z3="8.55829"
                           zFract="0.38516157"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08809"
                           xFract="0.24740403"
                           y3="2.11844"
                           yFract="0.2510"
                           z3="6.41215"
                           zFract="0.28857561"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22445"
                           xFract="0.50052725"
                           y3="6.3106"
                           yFract="0.74770142"
                           z3="4.24023"
                           zFract="0.19082943"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42126"
                           xFract="0.99777962"
                           y3="4.21961"
                           yFract="0.49995379"
                           z3="6.40001"
                           zFract="0.28802925"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08391"
                           xFract="0.24690877"
                           y3="4.21029"
                           yFract="0.49884953"
                           z3="8.65182"
                           zFract="0.38937084"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00887"
                           xFract="-0.00105095"
                           y3="6.2441"
                           yFract="0.73982227"
                           z3="8.69475"
                           zFract="0.39130288"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34548"
                           xFract="0.75183412"
                           y3="6.31689"
                           yFract="0.74844668"
                           z3="6.38346"
                           zFract="0.28728443"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37107"
                           xFract="0.75486611"
                           y3="2.11854"
                           yFract="0.25101185"
                           z3="6.4426"
                           zFract="0.28994599"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23208"
                           xFract="0.50143128"
                           y3="-0.00068"
                           yFract="-0.00008057"
                           z3="6.37519"
                           zFract="0.28691224"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.00741"
                           xFract="0.00087796"
                           y3="2.20617"
                           yFract="0.26139455"
                           z3="8.70159"
                           zFract="0.39161071"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00002"
                           xFract="-0.00000237"
                           y3="2.14777"
                           yFract="0.25447512"
                           z3="4.23972"
                           zFract="0.19080648"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06589"
                           xFract="0.2447737"
                           y3="6.28932"
                           yFract="0.74518009"
                           z3="6.43346"
                           zFract="0.28953465"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00922"
                           xFract="0.00109242"
                           y3="6.29343"
                           yFract="0.74566706"
                           z3="4.20869"
                           zFract="0.18940999"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23754"
                           xFract="0.5020782"
                           y3="2.11476"
                           yFract="0.25056398"
                           z3="4.27674"
                           zFract="0.19247255"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30708"
                           xFract="0.74728436"
                           y3="0.06072"
                           yFract="0.00719431"
                           z3="8.50653"
                           zFract="0.38283213"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.24718"
                           xFract="0.26625355"
                           y3="-0.00139"
                           yFract="-0.00016469"
                           z3="8.4796"
                           zFract="0.38162016"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19544"
                           xFract="0.49709005"
                           y3="4.20256"
                           yFract="0.49793365"
                           z3="6.41285"
                           zFract="0.28860711"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31695"
                           xFract="0.74845379"
                           y3="0.00752"
                           yFract="0.000891"
                           z3="4.22329"
                           zFract="0.19006706"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02731"
                           xFract="0.00323578"
                           y3="2.01243"
                           yFract="0.23843957"
                           z3="6.32301"
                           zFract="0.28456391"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99293"
                           xFract="0.23612915"
                           y3="0.01208"
                           yFract="0.00143128"
                           z3="6.34172"
                           zFract="0.28540594"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02079"
                           xFract="0.00246327"
                           y3="0.00651"
                           yFract="0.00077133"
                           z3="4.17852"
                           zFract="0.18805221"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30858"
                           xFract="0.98442891"
                           y3="8.36548"
                           yFract="0.99117062"
                           z3="9.08538"
                           zFract="0.40888299"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14371"
                           xFract="0.25399408"
                           y3="2.09846"
                           yFract="0.2486327"
                           z3="4.25638"
                           zFract="0.19155626"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11034"
                           xFract="0.25004028"
                           y3="2.05848"
                           yFract="0.24389573"
                           z3="8.54632"
                           zFract="0.38462286"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20191"
                           xFract="0.49785664"
                           y3="2.0053"
                           yFract="0.23759479"
                           z3="6.47019"
                           zFract="0.29118767"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.4999"
                           xFract="0.77013033"
                           y3="0.08954"
                           yFract="0.010609"
                           z3="6.41613"
                           zFract="0.28875473"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22011"
                           xFract="0.50001303"
                           y3="8.40006"
                           yFract="0.99526777"
                           z3="4.14396"
                           zFract="0.18649685"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33509"
                           xFract="0.51363626"
                           y3="8.4288"
                           yFract="0.99867299"
                           z3="8.81937"
                           zFract="0.39691134"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31633"
                           xFract="0.74838033"
                           y3="2.17594"
                           yFract="0.2578128"
                           z3="4.13872"
                           zFract="0.18626103"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36283"
                           xFract="0.75388981"
                           y3="2.26025"
                           yFract="0.26780213"
                           z3="8.72703"
                           zFract="0.39275563"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41157"
                           xFract="0.99663152"
                           y3="6.47461"
                           yFract="0.76713389"
                           z3="6.2878"
                           zFract="0.2829793"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08093"
                           xFract="0.24655569"
                           y3="4.20034"
                           yFract="0.49767062"
                           z3="6.27725"
                           zFract="0.2825045"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00151"
                           xFract="-0.00017891"
                           y3="4.22053"
                           yFract="0.5000628"
                           z3="4.33054"
                           zFract="0.19489379"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35414"
                           xFract="0.98982701"
                           y3="4.24433"
                           yFract="0.5028827"
                           z3="8.46567"
                           zFract="0.38099325"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15761"
                           xFract="0.255641"
                           y3="6.33006"
                           yFract="0.75000711"
                           z3="4.19067"
                           zFract="0.18859901"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12808"
                           xFract="0.25214218"
                           y3="6.37238"
                           yFract="0.75502133"
                           z3="8.56177"
                           zFract="0.38531818"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23812"
                           xFract="0.50214692"
                           y3="6.42325"
                           yFract="0.76104858"
                           z3="6.38761"
                           zFract="0.2874712"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32785"
                           xFract="0.74974526"
                           y3="4.11956"
                           yFract="0.48809953"
                           z3="6.27981"
                           zFract="0.28261971"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21258"
                           xFract="0.49912085"
                           y3="4.23991"
                           yFract="0.502359"
                           z3="4.24278"
                           zFract="0.19094419"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29773"
                           xFract="0.50920972"
                           y3="4.21914"
                           yFract="0.4998981"
                           z3="8.52433"
                           zFract="0.38363321"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29179"
                           xFract="0.74547275"
                           y3="6.2549"
                           yFract="0.7411019"
                           z3="4.27274"
                           zFract="0.19229253"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34941"
                           xFract="0.75229976"
                           y3="6.16246"
                           yFract="0.73014929"
                           z3="8.46091"
                           zFract="0.38077903"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.37068"
                           xFract="0.99178673"
                           y3="0.0061"
                           yFract="0.00072275"
                           z3="10.07553"
                           zFract="0.45344419"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32321"
                           xFract="0.7491955"
                           y3="4.20971"
                           yFract="0.49878081"
                           z3="4.21987"
                           zFract="0.18991314"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01332"
                           xFract="0.0015782"
                           y3="0.02408"
                           yFract="0.00285308"
                           z3="6.25712"
                           zFract="0.28159856"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33904"
                           xFract="0.75107109"
                           y3="4.20109"
                           yFract="0.49775948"
                           z3="8.49954"
                           zFract="0.38251755"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11073"
                           xFract="0.25008649"
                           y3="4.21548"
                           yFract="0.49946445"
                           z3="4.22225"
                           zFract="0.19002025"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25851"
                           xFract="0.5045628"
                           y3="6.32382"
                           yFract="0.74926777"
                           z3="8.48943"
                           zFract="0.38206256"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13238"
                           xFract="0.25265166"
                           y3="8.43845"
                           yFract="0.99981635"
                           z3="4.20484"
                           zFract="0.18923672"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25526"
                           xFract="0.50417773"
                           y3="2.11874"
                           yFract="0.25103555"
                           z3="8.55787"
                           zFract="0.38514266"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08709"
                           xFract="0.24728555"
                           y3="2.11707"
                           yFract="0.25083768"
                           z3="6.41472"
                           zFract="0.28869127"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22455"
                           xFract="0.5005391"
                           y3="6.31009"
                           yFract="0.747641"
                           z3="4.24097"
                           zFract="0.19086274"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42205"
                           xFract="0.99787322"
                           y3="4.21974"
                           yFract="0.49996919"
                           z3="6.40253"
                           zFract="0.28814266"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08218"
                           xFract="0.24670379"
                           y3="4.21011"
                           yFract="0.4988282"
                           z3="8.65098"
                           zFract="0.38933303"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.0049"
                           xFract="-0.00058057"
                           y3="6.24415"
                           yFract="0.7398282"
                           z3="8.70042"
                           zFract="0.39155806"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34667"
                           xFract="0.75197512"
                           y3="6.31801"
                           yFract="0.74857938"
                           z3="6.38575"
                           zFract="0.28738749"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37146"
                           xFract="0.75491232"
                           y3="2.11767"
                           yFract="0.25090877"
                           z3="6.44346"
                           zFract="0.2899847"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23294"
                           xFract="0.50153318"
                           y3="-0.00142"
                           yFract="-0.00016825"
                           z3="6.38185"
                           zFract="0.28721197"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01277"
                           xFract="0.00151303"
                           y3="2.2059"
                           yFract="0.26136256"
                           z3="8.70553"
                           zFract="0.39178803"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00082"
                           xFract="0.00009716"
                           y3="2.14186"
                           yFract="0.25377488"
                           z3="4.23845"
                           zFract="0.19074932"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06534"
                           xFract="0.24470853"
                           y3="6.29047"
                           yFract="0.74531635"
                           z3="6.4349"
                           zFract="0.28959946"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00956"
                           xFract="0.0011327"
                           y3="6.29936"
                           yFract="0.74636967"
                           z3="4.20716"
                           zFract="0.18934113"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23627"
                           xFract="0.50192773"
                           y3="2.11636"
                           yFract="0.25075355"
                           z3="4.27701"
                           zFract="0.1924847"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30101"
                           xFract="0.74656517"
                           y3="0.0609"
                           yFract="0.00721564"
                           z3="8.51217"
                           zFract="0.38308596"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.24495"
                           xFract="0.26598934"
                           y3="-0.00115"
                           yFract="-0.00013626"
                           z3="8.48694"
                           zFract="0.3819505"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19551"
                           xFract="0.49709834"
                           y3="4.20275"
                           yFract="0.49795616"
                           z3="6.4113"
                           zFract="0.28853735"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32201"
                           xFract="0.74905332"
                           y3="0.00748"
                           yFract="0.00088626"
                           z3="4.22779"
                           zFract="0.19026958"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02801"
                           xFract="0.00331872"
                           y3="2.0124"
                           yFract="0.23843602"
                           z3="6.32443"
                           zFract="0.28462781"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99491"
                           xFract="0.23636374"
                           y3="0.01237"
                           yFract="0.00146564"
                           z3="6.34133"
                           zFract="0.28538839"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01776"
                           xFract="0.00210427"
                           y3="0.00675"
                           yFract="0.00079976"
                           z3="4.18312"
                           zFract="0.18825923"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30699"
                           xFract="0.98424052"
                           y3="8.36501"
                           yFract="0.99111493"
                           z3="9.10084"
                           zFract="0.40957876"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14567"
                           xFract="0.2542263"
                           y3="2.09922"
                           yFract="0.24872275"
                           z3="4.2567"
                           zFract="0.19157066"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1117"
                           xFract="0.25020142"
                           y3="2.05951"
                           yFract="0.24401777"
                           z3="8.54731"
                           zFract="0.38466742"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20082"
                           xFract="0.49772749"
                           y3="2.00701"
                           yFract="0.23779739"
                           z3="6.46999"
                           zFract="0.29117867"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50532"
                           xFract="0.77077251"
                           y3="0.08979"
                           yFract="0.01063863"
                           z3="6.42047"
                           zFract="0.28895005"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22123"
                           xFract="0.50014573"
                           y3="8.3996"
                           yFract="0.99521327"
                           z3="4.14689"
                           zFract="0.18662871"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34011"
                           xFract="0.51423104"
                           y3="8.43022"
                           yFract="0.99884123"
                           z3="8.81443"
                           zFract="0.39668902"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31483"
                           xFract="0.74820261"
                           y3="2.17505"
                           yFract="0.25770735"
                           z3="4.13849"
                           zFract="0.18625068"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36012"
                           xFract="0.75356872"
                           y3="2.25869"
                           yFract="0.2676173"
                           z3="8.72923"
                           zFract="0.39285464"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41239"
                           xFract="0.99672867"
                           y3="6.47489"
                           yFract="0.76716706"
                           z3="6.29061"
                           zFract="0.28310576"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08223"
                           xFract="0.24670972"
                           y3="4.20039"
                           yFract="0.49767654"
                           z3="6.27703"
                           zFract="0.2824946"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00158"
                           xFract="-0.0001872"
                           y3="4.22149"
                           yFract="0.50017654"
                           z3="4.33048"
                           zFract="0.19489109"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3552"
                           xFract="0.98995261"
                           y3="4.24625"
                           yFract="0.50311019"
                           z3="8.46567"
                           zFract="0.38099325"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15967"
                           xFract="0.25588507"
                           y3="6.3288"
                           yFract="0.74985782"
                           z3="4.19108"
                           zFract="0.18861746"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12913"
                           xFract="0.25226659"
                           y3="6.37085"
                           yFract="0.75484005"
                           z3="8.56274"
                           zFract="0.38536184"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23782"
                           xFract="0.50211137"
                           y3="6.42072"
                           yFract="0.76074882"
                           z3="6.38699"
                           zFract="0.28744329"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32812"
                           xFract="0.74977725"
                           y3="4.1191"
                           yFract="0.48804502"
                           z3="6.27931"
                           zFract="0.28259721"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21229"
                           xFract="0.49908649"
                           y3="4.23922"
                           yFract="0.50227725"
                           z3="4.24378"
                           zFract="0.1909892"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29562"
                           xFract="0.50895972"
                           y3="4.21868"
                           yFract="0.4998436"
                           z3="8.52479"
                           zFract="0.38365392"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29004"
                           xFract="0.7452654"
                           y3="6.25562"
                           yFract="0.7411872"
                           z3="4.27332"
                           zFract="0.19231863"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34713"
                           xFract="0.75202962"
                           y3="6.16365"
                           yFract="0.73029028"
                           z3="8.46167"
                           zFract="0.38081323"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.3716"
                           xFract="0.99189573"
                           y3="0.00647"
                           yFract="0.00076659"
                           z3="10.0731"
                           zFract="0.45333483"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32363"
                           xFract="0.74924526"
                           y3="4.20971"
                           yFract="0.49878081"
                           z3="4.21991"
                           zFract="0.18991494"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01453"
                           xFract="0.00172156"
                           y3="0.02415"
                           yFract="0.00286137"
                           z3="6.25736"
                           zFract="0.28160936"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33793"
                           xFract="0.75093957"
                           y3="4.20106"
                           yFract="0.49775592"
                           z3="8.49919"
                           zFract="0.3825018"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11031"
                           xFract="0.25003673"
                           y3="4.21562"
                           yFract="0.49948104"
                           z3="4.22183"
                           zFract="0.19000135"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25869"
                           xFract="0.50458412"
                           y3="6.32346"
                           yFract="0.74922512"
                           z3="8.4895"
                           zFract="0.38206571"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13311"
                           xFract="0.25273815"
                           y3="8.43839"
                           yFract="0.99980924"
                           z3="4.20482"
                           zFract="0.18923582"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25526"
                           xFract="0.50417773"
                           y3="2.11918"
                           yFract="0.25108768"
                           z3="8.55794"
                           zFract="0.38514581"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08727"
                           xFract="0.24730687"
                           y3="2.11732"
                           yFract="0.2508673"
                           z3="6.41426"
                           zFract="0.28867057"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22453"
                           xFract="0.50053673"
                           y3="6.31018"
                           yFract="0.74765166"
                           z3="4.24084"
                           zFract="0.19085689"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42191"
                           xFract="0.99785664"
                           y3="4.21971"
                           yFract="0.49996564"
                           z3="6.40207"
                           zFract="0.28812196"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0825"
                           xFract="0.24674171"
                           y3="4.21014"
                           yFract="0.49883175"
                           z3="8.65113"
                           zFract="0.38933978"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00562"
                           xFract="-0.00066588"
                           y3="6.24414"
                           yFract="0.73982701"
                           z3="8.6994"
                           zFract="0.39151215"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34646"
                           xFract="0.75195024"
                           y3="6.31781"
                           yFract="0.74855569"
                           z3="6.38533"
                           zFract="0.28736859"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37139"
                           xFract="0.75490403"
                           y3="2.11783"
                           yFract="0.25092773"
                           z3="6.4433"
                           zFract="0.2899775"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23278"
                           xFract="0.50151422"
                           y3="-0.00128"
                           yFract="-0.00015166"
                           z3="6.38064"
                           zFract="0.28715752"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0118"
                           xFract="0.0013981"
                           y3="2.20595"
                           yFract="0.26136848"
                           z3="8.70481"
                           zFract="0.39175563"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00067"
                           xFract="0.00007938"
                           y3="2.14293"
                           yFract="0.25390166"
                           z3="4.23868"
                           zFract="0.19075968"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06544"
                           xFract="0.24472038"
                           y3="6.29026"
                           yFract="0.74529147"
                           z3="6.43464"
                           zFract="0.28958776"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0095"
                           xFract="0.00112559"
                           y3="6.29829"
                           yFract="0.74624289"
                           z3="4.20743"
                           zFract="0.18935329"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2365"
                           xFract="0.50195498"
                           y3="2.11607"
                           yFract="0.25071919"
                           z3="4.27696"
                           zFract="0.19248245"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3021"
                           xFract="0.74669431"
                           y3="0.06087"
                           yFract="0.00721209"
                           z3="8.51115"
                           zFract="0.38304005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.24536"
                           xFract="0.26603791"
                           y3="-0.00119"
                           yFract="-0.000141"
                           z3="8.48561"
                           zFract="0.38189064"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.1955"
                           xFract="0.49709716"
                           y3="4.20272"
                           yFract="0.49795261"
                           z3="6.41158"
                           zFract="0.28854995"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32109"
                           xFract="0.74894431"
                           y3="0.00748"
                           yFract="0.00088626"
                           z3="4.22698"
                           zFract="0.19023312"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02788"
                           xFract="0.00330332"
                           y3="2.01241"
                           yFract="0.2384372"
                           z3="6.32417"
                           zFract="0.28461611"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99456"
                           xFract="0.23632227"
                           y3="0.01232"
                           yFract="0.00145972"
                           z3="6.3414"
                           zFract="0.28539154"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01831"
                           xFract="0.00216943"
                           y3="0.0067"
                           yFract="0.00079384"
                           z3="4.18229"
                           zFract="0.18822187"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30728"
                           xFract="0.98427488"
                           y3="8.36509"
                           yFract="0.99112441"
                           z3="9.09805"
                           zFract="0.4094532"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14532"
                           xFract="0.25418483"
                           y3="2.09908"
                           yFract="0.24870616"
                           z3="4.25664"
                           zFract="0.19156796"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11145"
                           xFract="0.2501718"
                           y3="2.05932"
                           yFract="0.24399526"
                           z3="8.54713"
                           zFract="0.38465932"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20102"
                           xFract="0.49775118"
                           y3="2.0067"
                           yFract="0.23776066"
                           z3="6.47003"
                           zFract="0.29118047"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50434"
                           xFract="0.7706564"
                           y3="0.08975"
                           yFract="0.01063389"
                           z3="6.41968"
                           zFract="0.28891449"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22103"
                           xFract="0.50012204"
                           y3="8.39968"
                           yFract="0.99522275"
                           z3="4.14636"
                           zFract="0.18660486"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3392"
                           xFract="0.51412322"
                           y3="8.42997"
                           yFract="0.99881161"
                           z3="8.81532"
                           zFract="0.39672907"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3151"
                           xFract="0.7482346"
                           y3="2.17521"
                           yFract="0.2577263"
                           z3="4.13853"
                           zFract="0.18625248"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36061"
                           xFract="0.75362678"
                           y3="2.25897"
                           yFract="0.26765047"
                           z3="8.72883"
                           zFract="0.39283663"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41224"
                           xFract="0.9967109"
                           y3="6.47484"
                           yFract="0.76716114"
                           z3="6.2901"
                           zFract="0.28308281"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0820"
                           xFract="0.24668246"
                           y3="4.20039"
                           yFract="0.49767654"
                           z3="6.27707"
                           zFract="0.2824964"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00156"
                           xFract="-0.00018483"
                           y3="4.22131"
                           yFract="0.50015521"
                           z3="4.33049"
                           zFract="0.19489154"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35501"
                           xFract="0.98993009"
                           y3="4.24591"
                           yFract="0.50306991"
                           z3="8.46567"
                           zFract="0.38099325"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1593"
                           xFract="0.25584123"
                           y3="6.32903"
                           yFract="0.74988507"
                           z3="4.1910"
                           zFract="0.18861386"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.12894"
                           xFract="0.25224408"
                           y3="6.37112"
                           yFract="0.75487204"
                           z3="8.56257"
                           zFract="0.38535419"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23788"
                           xFract="0.50211848"
                           y3="6.42117"
                           yFract="0.76080213"
                           z3="6.38711"
                           zFract="0.28744869"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32807"
                           xFract="0.74977133"
                           y3="4.11918"
                           yFract="0.4880545"
                           z3="6.2794"
                           zFract="0.28260126"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21234"
                           xFract="0.49909242"
                           y3="4.23935"
                           yFract="0.50229265"
                           z3="4.2436"
                           zFract="0.1909811"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2960"
                           xFract="0.50900474"
                           y3="4.21876"
                           yFract="0.49985308"
                           z3="8.5247"
                           zFract="0.38364986"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29036"
                           xFract="0.74530332"
                           y3="6.25549"
                           yFract="0.7411718"
                           z3="4.27321"
                           zFract="0.19231368"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34754"
                           xFract="0.7520782"
                           y3="6.16343"
                           yFract="0.73026422"
                           z3="8.46153"
                           zFract="0.38080693"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.36837"
                           xFract="0.99151303"
                           y3="0.00445"
                           yFract="0.00052725"
                           z3="10.0750"
                           zFract="0.45342034"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32431"
                           xFract="0.74932583"
                           y3="4.20958"
                           yFract="0.4987654"
                           z3="4.22059"
                           zFract="0.18994554"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01812"
                           xFract="0.00214692"
                           y3="0.02392"
                           yFract="0.00283412"
                           z3="6.25893"
                           zFract="0.28168002"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33664"
                           xFract="0.75078673"
                           y3="4.20077"
                           yFract="0.49772156"
                           z3="8.49994"
                           zFract="0.38253555"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10997"
                           xFract="0.24999645"
                           y3="4.21542"
                           yFract="0.49945735"
                           z3="4.22314"
                           zFract="0.19006031"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2584"
                           xFract="0.50454976"
                           y3="6.32179"
                           yFract="0.74902725"
                           z3="8.48897"
                           zFract="0.38204185"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13359"
                           xFract="0.25279502"
                           y3="8.43833"
                           yFract="0.99980213"
                           z3="4.20513"
                           zFract="0.18924977"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25571"
                           xFract="0.50423104"
                           y3="2.12091"
                           yFract="0.25129265"
                           z3="8.55741"
                           zFract="0.38512196"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08724"
                           xFract="0.24730332"
                           y3="2.11652"
                           yFract="0.25077251"
                           z3="6.4153"
                           zFract="0.28871737"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2246"
                           xFract="0.50054502"
                           y3="6.31152"
                           yFract="0.74781043"
                           z3="4.24152"
                           zFract="0.19088749"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42224"
                           xFract="0.99789573"
                           y3="4.21986"
                           yFract="0.49998341"
                           z3="6.40132"
                           zFract="0.28808821"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08335"
                           xFract="0.24684242"
                           y3="4.21018"
                           yFract="0.49883649"
                           z3="8.65106"
                           zFract="0.38933663"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00399"
                           xFract="-0.00047275"
                           y3="6.24554"
                           yFract="0.73999289"
                           z3="8.70261"
                           zFract="0.39165662"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34653"
                           xFract="0.75195853"
                           y3="6.31732"
                           yFract="0.74849763"
                           z3="6.38716"
                           zFract="0.28745095"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37148"
                           xFract="0.75491469"
                           y3="2.11875"
                           yFract="0.25103673"
                           z3="6.44454"
                           zFract="0.2900333"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2323"
                           xFract="0.50145735"
                           y3="-0.00157"
                           yFract="-0.00018602"
                           z3="6.38263"
                           zFract="0.28724707"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01371"
                           xFract="0.00162441"
                           y3="2.20496"
                           yFract="0.26125118"
                           z3="8.70758"
                           zFract="0.39188029"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00116"
                           xFract="0.00013744"
                           y3="2.14288"
                           yFract="0.25389573"
                           z3="4.23833"
                           zFract="0.19074392"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06524"
                           xFract="0.24469668"
                           y3="6.29131"
                           yFract="0.74541588"
                           z3="6.4353"
                           zFract="0.28961746"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00974"
                           xFract="0.00115403"
                           y3="6.29894"
                           yFract="0.74631991"
                           z3="4.20714"
                           zFract="0.18934023"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23608"
                           xFract="0.50190521"
                           y3="2.1150"
                           yFract="0.25059242"
                           z3="4.27755"
                           zFract="0.192509"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30318"
                           xFract="0.74682227"
                           y3="0.06078"
                           yFract="0.00720142"
                           z3="8.51377"
                           zFract="0.38315797"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.24323"
                           xFract="0.26578555"
                           y3="-0.00099"
                           yFract="-0.0001173"
                           z3="8.48852"
                           zFract="0.3820216"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19636"
                           xFract="0.49719905"
                           y3="4.20272"
                           yFract="0.49795261"
                           z3="6.4119"
                           zFract="0.28856436"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32028"
                           xFract="0.74884834"
                           y3="0.00756"
                           yFract="0.00089573"
                           z3="4.22855"
                           zFract="0.19030378"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0278"
                           xFract="0.00329384"
                           y3="2.01233"
                           yFract="0.23842773"
                           z3="6.32487"
                           zFract="0.28464761"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99322"
                           xFract="0.23616351"
                           y3="0.01208"
                           yFract="0.00143128"
                           z3="6.3428"
                           zFract="0.28545455"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01772"
                           xFract="0.00209953"
                           y3="0.00656"
                           yFract="0.00077725"
                           z3="4.18302"
                           zFract="0.18825473"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3058"
                           xFract="0.98409953"
                           y3="8.36507"
                           yFract="0.99112204"
                           z3="9.10931"
                           zFract="0.40995995"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14485"
                           xFract="0.25412915"
                           y3="2.09931"
                           yFract="0.24873341"
                           z3="4.25649"
                           zFract="0.19156121"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11341"
                           xFract="0.25040403"
                           y3="2.05875"
                           yFract="0.24392773"
                           z3="8.54877"
                           zFract="0.38473312"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20053"
                           xFract="0.49769313"
                           y3="2.00696"
                           yFract="0.23779147"
                           z3="6.47016"
                           zFract="0.29118632"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50382"
                           xFract="0.77059479"
                           y3="0.09008"
                           yFract="0.01067299"
                           z3="6.42169"
                           zFract="0.28900495"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22142"
                           xFract="0.50016825"
                           y3="8.39979"
                           yFract="0.99523578"
                           z3="4.14722"
                           zFract="0.18664356"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3367"
                           xFract="0.51382701"
                           y3="8.4302"
                           yFract="0.99883886"
                           z3="8.81313"
                           zFract="0.39663051"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3149"
                           xFract="0.7482109"
                           y3="2.17522"
                           yFract="0.25772749"
                           z3="4.1384"
                           zFract="0.18624662"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3607"
                           xFract="0.75363744"
                           y3="2.25886"
                           yFract="0.26763744"
                           z3="8.73047"
                           zFract="0.39291044"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41192"
                           xFract="0.99667299"
                           y3="6.47484"
                           yFract="0.76716114"
                           z3="6.2912"
                           zFract="0.28313231"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08229"
                           xFract="0.24671682"
                           y3="4.2005"
                           yFract="0.49768957"
                           z3="6.27812"
                           zFract="0.28254365"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.0013"
                           xFract="-0.00015403"
                           y3="4.22136"
                           yFract="0.50016114"
                           z3="4.32972"
                           zFract="0.19485689"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3563"
                           xFract="0.99008294"
                           y3="4.24633"
                           yFract="0.50311967"
                           z3="8.46617"
                           zFract="0.38101575"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15899"
                           xFract="0.2558045"
                           y3="6.32847"
                           yFract="0.74981872"
                           z3="4.1907"
                           zFract="0.18860036"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1308"
                           xFract="0.25246445"
                           y3="6.3717"
                           yFract="0.75494076"
                           z3="8.56437"
                           zFract="0.38543519"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23794"
                           xFract="0.50212559"
                           y3="6.42027"
                           yFract="0.7606955"
                           z3="6.38768"
                           zFract="0.28747435"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32826"
                           xFract="0.74979384"
                           y3="4.11892"
                           yFract="0.4880237"
                           z3="6.27979"
                           zFract="0.28261881"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21246"
                           xFract="0.49910664"
                           y3="4.23942"
                           yFract="0.50230095"
                           z3="4.24336"
                           zFract="0.1909703"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29571"
                           xFract="0.50897038"
                           y3="4.21878"
                           yFract="0.49985545"
                           z3="8.52498"
                           zFract="0.38366247"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29056"
                           xFract="0.74532701"
                           y3="6.2553"
                           yFract="0.74114929"
                           z3="4.27352"
                           zFract="0.19232763"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34754"
                           xFract="0.7520782"
                           y3="6.16354"
                           yFract="0.73027725"
                           z3="8.46313"
                           zFract="0.38087894"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.3679"
                           xFract="0.99145735"
                           y3="0.00416"
                           yFract="0.00049289"
                           z3="10.07527"
                           zFract="0.45343249"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32441"
                           xFract="0.74933768"
                           y3="4.20956"
                           yFract="0.49876303"
                           z3="4.22069"
                           zFract="0.18995005"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01863"
                           xFract="0.00220735"
                           y3="0.02389"
                           yFract="0.00283057"
                           z3="6.25916"
                           zFract="0.28169037"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33645"
                           xFract="0.75076422"
                           y3="4.20073"
                           yFract="0.49771682"
                           z3="8.50004"
                           zFract="0.38254005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10992"
                           xFract="0.24999052"
                           y3="4.21539"
                           yFract="0.49945379"
                           z3="4.22333"
                           zFract="0.19006886"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25835"
                           xFract="0.50454384"
                           y3="6.32155"
                           yFract="0.74899882"
                           z3="8.48889"
                           zFract="0.38203825"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13366"
                           xFract="0.25280332"
                           y3="8.43832"
                           yFract="0.99980095"
                           z3="4.20518"
                           zFract="0.18925203"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25577"
                           xFract="0.50423815"
                           y3="2.12116"
                           yFract="0.25132227"
                           z3="8.55734"
                           zFract="0.38511881"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08723"
                           xFract="0.24730213"
                           y3="2.11641"
                           yFract="0.25075948"
                           z3="6.41546"
                           zFract="0.28872457"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22461"
                           xFract="0.50054621"
                           y3="6.31172"
                           yFract="0.74783412"
                           z3="4.24162"
                           zFract="0.19089199"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42229"
                           xFract="0.99790166"
                           y3="4.21988"
                           yFract="0.49998578"
                           z3="6.40121"
                           zFract="0.28808326"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08347"
                           xFract="0.24685664"
                           y3="4.21019"
                           yFract="0.49883768"
                           z3="8.65105"
                           zFract="0.38933618"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00376"
                           xFract="-0.0004455"
                           y3="6.24574"
                           yFract="0.74001659"
                           z3="8.70307"
                           zFract="0.39167732"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34654"
                           xFract="0.75195972"
                           y3="6.31724"
                           yFract="0.74848815"
                           z3="6.38742"
                           zFract="0.28746265"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37149"
                           xFract="0.75491588"
                           y3="2.11888"
                           yFract="0.25105213"
                           z3="6.44472"
                           zFract="0.2900414"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23223"
                           xFract="0.50144905"
                           y3="-0.00161"
                           yFract="-0.00019076"
                           z3="6.38291"
                           zFract="0.28725968"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01398"
                           xFract="0.0016564"
                           y3="2.20482"
                           yFract="0.2612346"
                           z3="8.70797"
                           zFract="0.39189784"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00123"
                           xFract="0.00014573"
                           y3="2.14287"
                           yFract="0.25389455"
                           z3="4.23828"
                           zFract="0.19074167"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06521"
                           xFract="0.24469313"
                           y3="6.29146"
                           yFract="0.74543365"
                           z3="6.43539"
                           zFract="0.28962151"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00977"
                           xFract="0.00115758"
                           y3="6.29904"
                           yFract="0.74633175"
                           z3="4.2071"
                           zFract="0.18933843"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23602"
                           xFract="0.5018981"
                           y3="2.11485"
                           yFract="0.25057464"
                           z3="4.27763"
                           zFract="0.1925126"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30333"
                           xFract="0.74684005"
                           y3="0.06077"
                           yFract="0.00720024"
                           z3="8.51415"
                           zFract="0.38317507"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.24293"
                           xFract="0.26575"
                           y3="-0.00096"
                           yFract="-0.00011374"
                           z3="8.48893"
                           zFract="0.38204005"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19649"
                           xFract="0.49721445"
                           y3="4.20272"
                           yFract="0.49795261"
                           z3="6.41195"
                           zFract="0.28856661"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32017"
                           xFract="0.74883531"
                           y3="0.00757"
                           yFract="0.00089692"
                           z3="4.22878"
                           zFract="0.19031413"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02778"
                           xFract="0.00329147"
                           y3="2.01232"
                           yFract="0.23842654"
                           z3="6.32497"
                           zFract="0.28465212"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99302"
                           xFract="0.23613981"
                           y3="0.01205"
                           yFract="0.00142773"
                           z3="6.3430"
                           zFract="0.28546355"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01764"
                           xFract="0.00209005"
                           y3="0.00654"
                           yFract="0.00077488"
                           z3="4.18312"
                           zFract="0.18825923"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30558"
                           xFract="0.98407346"
                           y3="8.36506"
                           yFract="0.99112085"
                           z3="9.11093"
                           zFract="0.41003285"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14479"
                           xFract="0.25412204"
                           y3="2.09934"
                           yFract="0.24873697"
                           z3="4.25647"
                           zFract="0.19156031"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11369"
                           xFract="0.2504372"
                           y3="2.05867"
                           yFract="0.24391825"
                           z3="8.54901"
                           zFract="0.38474392"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20046"
                           xFract="0.49768483"
                           y3="2.0070"
                           yFract="0.23779621"
                           z3="6.47018"
                           zFract="0.29118722"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50375"
                           xFract="0.77058649"
                           y3="0.09013"
                           yFract="0.01067891"
                           z3="6.42198"
                           zFract="0.289018"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22148"
                           xFract="0.50017536"
                           y3="8.3998"
                           yFract="0.99523697"
                           z3="4.14734"
                           zFract="0.18664896"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33634"
                           xFract="0.51378436"
                           y3="8.43023"
                           yFract="0.99884242"
                           z3="8.81281"
                           zFract="0.39661611"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31487"
                           xFract="0.74820735"
                           y3="2.17522"
                           yFract="0.25772749"
                           z3="4.13838"
                           zFract="0.18624572"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36071"
                           xFract="0.75363863"
                           y3="2.25884"
                           yFract="0.26763507"
                           z3="8.7307"
                           zFract="0.39292079"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41187"
                           xFract="0.99666706"
                           y3="6.47484"
                           yFract="0.76716114"
                           z3="6.29136"
                           zFract="0.28313951"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08234"
                           xFract="0.24672275"
                           y3="4.20052"
                           yFract="0.49769194"
                           z3="6.27828"
                           zFract="0.28255086"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00126"
                           xFract="-0.00014929"
                           y3="4.22136"
                           yFract="0.50016114"
                           z3="4.32961"
                           zFract="0.19485194"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35648"
                           xFract="0.99010427"
                           y3="4.24639"
                           yFract="0.50312678"
                           z3="8.46624"
                           zFract="0.3810189"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15895"
                           xFract="0.25579976"
                           y3="6.32839"
                           yFract="0.74980924"
                           z3="4.19065"
                           zFract="0.18859811"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13107"
                           xFract="0.25249645"
                           y3="6.37178"
                           yFract="0.75495024"
                           z3="8.56463"
                           zFract="0.38544689"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23795"
                           xFract="0.50212678"
                           y3="6.42014"
                           yFract="0.76068009"
                           z3="6.38777"
                           zFract="0.2874784"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32829"
                           xFract="0.74979739"
                           y3="4.11888"
                           yFract="0.48801896"
                           z3="6.27985"
                           zFract="0.28262151"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21248"
                           xFract="0.499109"
                           y3="4.23944"
                           yFract="0.50230332"
                           z3="4.24333"
                           zFract="0.19096895"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29566"
                           xFract="0.50896445"
                           y3="4.21878"
                           yFract="0.49985545"
                           z3="8.52502"
                           zFract="0.38366427"/>
                     <atom elementType="O"
                           id="a79"
                           x3="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="6.25528"
                           yFract="0.74114692"
                           z3="4.27356"
                           zFract="0.19232943"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34754"
                           xFract="0.7520782"
                           y3="6.16356"
                           yFract="0.73027962"
                           z3="8.46336"
                           zFract="0.38088929"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.36664"
                           xFract="0.99130806"
                           y3="0.00344"
                           yFract="0.00040758"
                           z3="10.07863"
                           zFract="0.45358371"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32478"
                           xFract="0.74938152"
                           y3="4.2095"
                           yFract="0.49875592"
                           z3="4.22099"
                           zFract="0.18996355"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02026"
                           xFract="0.00240047"
                           y3="0.02383"
                           yFract="0.00282346"
                           z3="6.25998"
                           zFract="0.28172727"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33571"
                           xFract="0.75067654"
                           y3="4.20062"
                           yFract="0.49770379"
                           z3="8.50036"
                           zFract="0.38255446"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1097"
                           xFract="0.24996445"
                           y3="4.21536"
                           yFract="0.49945024"
                           z3="4.22383"
                           zFract="0.19009136"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25825"
                           xFract="0.50453199"
                           y3="6.32071"
                           yFract="0.74889929"
                           z3="8.48869"
                           zFract="0.38202925"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13403"
                           xFract="0.25284716"
                           y3="8.43828"
                           yFract="0.99979621"
                           z3="4.2053"
                           zFract="0.18925743"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25599"
                           xFract="0.50426422"
                           y3="2.12202"
                           yFract="0.25142417"
                           z3="8.55712"
                           zFract="0.38510891"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08726"
                           xFract="0.24730569"
                           y3="2.11613"
                           yFract="0.2507263"
                           z3="6.41589"
                           zFract="0.28874392"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22465"
                           xFract="0.50055095"
                           y3="6.3123"
                           yFract="0.74790284"
                           z3="4.24192"
                           zFract="0.19090549"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42243"
                           xFract="0.99791825"
                           y3="4.21995"
                           yFract="0.49999408"
                           z3="6.4008"
                           zFract="0.28806481"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08393"
                           xFract="0.24691114"
                           y3="4.21022"
                           yFract="0.49884123"
                           z3="8.65106"
                           zFract="0.38933663"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00315"
                           xFract="-0.00037322"
                           y3="6.24636"
                           yFract="0.74009005"
                           z3="8.70445"
                           zFract="0.39173942"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34655"
                           xFract="0.7519609"
                           y3="6.3170"
                           yFract="0.74845972"
                           z3="6.38822"
                           zFract="0.28749865"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37155"
                           xFract="0.75492299"
                           y3="2.11929"
                           yFract="0.25110071"
                           z3="6.44532"
                           zFract="0.29006841"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2320"
                           xFract="0.5014218"
                           y3="-0.00171"
                           yFract="-0.00020261"
                           z3="6.38367"
                           zFract="0.28729388"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01469"
                           xFract="0.00174052"
                           y3="2.2044"
                           yFract="0.26118483"
                           z3="8.7092"
                           zFract="0.3919532"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00139"
                           xFract="0.00016469"
                           y3="2.14308"
                           yFract="0.25391943"
                           z3="4.23819"
                           zFract="0.19073762"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06514"
                           xFract="0.24468483"
                           y3="6.29188"
                           yFract="0.74548341"
                           z3="6.43569"
                           zFract="0.28963501"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00985"
                           xFract="0.00116706"
                           y3="6.29912"
                           yFract="0.74634123"
                           z3="4.20705"
                           zFract="0.18933618"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23588"
                           xFract="0.50188152"
                           y3="2.11432"
                           yFract="0.25051185"
                           z3="4.2779"
                           zFract="0.19252475"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30404"
                           xFract="0.74692417"
                           y3="0.06072"
                           yFract="0.00719431"
                           z3="8.51522"
                           zFract="0.38322322"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.24201"
                           xFract="0.265641"
                           y3="-0.00088"
                           yFract="-0.00010427"
                           z3="8.49016"
                           zFract="0.38209541"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19689"
                           xFract="0.49726185"
                           y3="4.2027"
                           yFract="0.49795024"
                           z3="6.41211"
                           zFract="0.28857381"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31961"
                           xFract="0.74876896"
                           y3="0.00762"
                           yFract="0.00090284"
                           z3="4.22939"
                           zFract="0.19034158"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02776"
                           xFract="0.0032891"
                           y3="2.01226"
                           yFract="0.23841943"
                           z3="6.32527"
                           zFract="0.28466562"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99242"
                           xFract="0.23606872"
                           y3="0.01192"
                           yFract="0.00141232"
                           z3="6.34371"
                           zFract="0.2854955"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01747"
                           xFract="0.00206991"
                           y3="0.00647"
                           yFract="0.00076659"
                           z3="4.18333"
                           zFract="0.18826868"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.3047"
                           xFract="0.98396919"
                           y3="8.36481"
                           yFract="0.99109123"
                           z3="9.11318"
                           zFract="0.41013411"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1445"
                           xFract="0.25408768"
                           y3="2.0994"
                           yFract="0.24874408"
                           z3="4.25643"
                           zFract="0.19155851"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11457"
                           xFract="0.25054147"
                           y3="2.05836"
                           yFract="0.24388152"
                           z3="8.54978"
                           zFract="0.38477858"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20026"
                           xFract="0.49766114"
                           y3="2.00707"
                           yFract="0.2378045"
                           z3="6.47023"
                           zFract="0.29118947"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50347"
                           xFract="0.77055332"
                           y3="0.09029"
                           yFract="0.01069787"
                           z3="6.42288"
                           zFract="0.28905851"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22159"
                           xFract="0.50018839"
                           y3="8.39987"
                           yFract="0.99524526"
                           z3="4.14769"
                           zFract="0.18666472"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33502"
                           xFract="0.51362796"
                           y3="8.4303"
                           yFract="0.99885071"
                           z3="8.81182"
                           zFract="0.39657156"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31483"
                           xFract="0.74820261"
                           y3="2.17526"
                           yFract="0.25773223"
                           z3="4.13835"
                           zFract="0.18624437"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36088"
                           xFract="0.75365877"
                           y3="2.25882"
                           yFract="0.2676327"
                           z3="8.73144"
                           zFract="0.3929541"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41173"
                           xFract="0.99665047"
                           y3="6.47483"
                           yFract="0.76715995"
                           z3="6.29181"
                           zFract="0.28315977"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08245"
                           xFract="0.24673578"
                           y3="4.20058"
                           yFract="0.49769905"
                           z3="6.27882"
                           zFract="0.28257516"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00114"
                           xFract="-0.00013507"
                           y3="4.22136"
                           yFract="0.50016114"
                           z3="4.32924"
                           zFract="0.19483528"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.35706"
                           xFract="0.99017299"
                           y3="4.24654"
                           yFract="0.50314455"
                           z3="8.46647"
                           zFract="0.38102925"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15874"
                           xFract="0.25577488"
                           y3="6.32818"
                           yFract="0.74978436"
                           z3="4.19053"
                           zFract="0.18859271"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1319"
                           xFract="0.25259479"
                           y3="6.37213"
                           yFract="0.75499171"
                           z3="8.56549"
                           zFract="0.3854856"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23798"
                           xFract="0.50213033"
                           y3="6.41979"
                           yFract="0.76063863"
                           z3="6.38804"
                           zFract="0.28749055"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32839"
                           xFract="0.74980924"
                           y3="4.11879"
                           yFract="0.48800829"
                           z3="6.28008"
                           zFract="0.28263186"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21255"
                           xFract="0.4991173"
                           y3="4.2395"
                           yFract="0.50231043"
                           z3="4.24318"
                           zFract="0.1909622"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29558"
                           xFract="0.50895498"
                           y3="4.21879"
                           yFract="0.49985664"
                           z3="8.52514"
                           zFract="0.38366967"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29075"
                           xFract="0.74534953"
                           y3="6.25516"
                           yFract="0.7411327"
                           z3="4.27373"
                           zFract="0.19233708"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34764"
                           xFract="0.75209005"
                           y3="6.16356"
                           yFract="0.73027962"
                           z3="8.46414"
                           zFract="0.38092439"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.36286"
                           xFract="0.99086019"
                           y3="0.0013"
                           yFract="0.00015403"
                           z3="10.0887"
                           zFract="0.4540369"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32591"
                           xFract="0.7495154"
                           y3="4.20933"
                           yFract="0.49873578"
                           z3="4.22191"
                           zFract="0.19000495"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02514"
                           xFract="0.00297867"
                           y3="0.02364"
                           yFract="0.00280095"
                           z3="6.26246"
                           zFract="0.28183888"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33349"
                           xFract="0.75041351"
                           y3="4.20027"
                           yFract="0.49766232"
                           z3="8.50133"
                           zFract="0.38259811"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10905"
                           xFract="0.24988744"
                           y3="4.21526"
                           yFract="0.49943839"
                           z3="4.22534"
                           zFract="0.19015932"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25795"
                           xFract="0.50449645"
                           y3="6.31821"
                           yFract="0.74860308"
                           z3="8.48809"
                           zFract="0.38200225"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13513"
                           xFract="0.25297749"
                           y3="8.43816"
                           yFract="0.99978199"
                           z3="4.20568"
                           zFract="0.18927453"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25664"
                           xFract="0.50434123"
                           y3="2.12462"
                           yFract="0.25173223"
                           z3="8.55648"
                           zFract="0.38508011"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08735"
                           xFract="0.24731635"
                           y3="2.11529"
                           yFract="0.25062678"
                           z3="6.41719"
                           zFract="0.28880243"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22478"
                           xFract="0.50056635"
                           y3="6.31404"
                           yFract="0.748109"
                           z3="4.24283"
                           zFract="0.19094644"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42284"
                           xFract="0.99796682"
                           y3="4.22017"
                           yFract="0.50002014"
                           z3="6.39957"
                           zFract="0.28800945"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08532"
                           xFract="0.24707583"
                           y3="4.21032"
                           yFract="0.49885308"
                           z3="8.65106"
                           zFract="0.38933663"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00132"
                           xFract="-0.0001564"
                           y3="6.24823"
                           yFract="0.74031161"
                           z3="8.70857"
                           zFract="0.39192484"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34658"
                           xFract="0.75196445"
                           y3="6.31626"
                           yFract="0.74837204"
                           z3="6.3906"
                           zFract="0.28760576"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37172"
                           xFract="0.75494313"
                           y3="2.12051"
                           yFract="0.25124526"
                           z3="6.4471"
                           zFract="0.29014851"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23129"
                           xFract="0.50133768"
                           y3="-0.00204"
                           yFract="-0.00024171"
                           z3="6.38594"
                           zFract="0.28739604"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0168"
                           xFract="0.00199052"
                           y3="2.20316"
                           yFract="0.26103791"
                           z3="8.71288"
                           zFract="0.39211881"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00188"
                           xFract="0.00022275"
                           y3="2.14368"
                           yFract="0.25399052"
                           z3="4.23792"
                           zFract="0.19072547"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06493"
                           xFract="0.24465995"
                           y3="6.29312"
                           yFract="0.74563033"
                           z3="6.43659"
                           zFract="0.28967552"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01007"
                           xFract="0.00119313"
                           y3="6.29935"
                           yFract="0.74636848"
                           z3="4.2069"
                           zFract="0.18932943"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23549"
                           xFract="0.50183531"
                           y3="2.11272"
                           yFract="0.25032227"
                           z3="4.27873"
                           zFract="0.19256211"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30616"
                           xFract="0.74717536"
                           y3="0.06057"
                           yFract="0.00717654"
                           z3="8.51844"
                           zFract="0.38336814"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23925"
                           xFract="0.26531398"
                           y3="-0.00063"
                           yFract="-0.00007464"
                           z3="8.49383"
                           zFract="0.38226058"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19808"
                           xFract="0.49740284"
                           y3="4.20267"
                           yFract="0.49794668"
                           z3="6.41258"
                           zFract="0.28859496"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31794"
                           xFract="0.74857109"
                           y3="0.00777"
                           yFract="0.00092062"
                           z3="4.23125"
                           zFract="0.19042529"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0277"
                           xFract="0.00328199"
                           y3="2.01206"
                           yFract="0.23839573"
                           z3="6.32618"
                           zFract="0.28470657"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99059"
                           xFract="0.2358519"
                           y3="0.01153"
                           yFract="0.00136611"
                           z3="6.34583"
                           zFract="0.28559091"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01698"
                           xFract="0.00201185"
                           y3="0.00628"
                           yFract="0.00074408"
                           z3="4.18397"
                           zFract="0.18829748"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.30205"
                           xFract="0.98365521"
                           y3="8.36405"
                           yFract="0.99100118"
                           z3="9.11991"
                           zFract="0.41043699"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14364"
                           xFract="0.25398578"
                           y3="2.09957"
                           yFract="0.24876422"
                           z3="4.25629"
                           zFract="0.19155221"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11721"
                           xFract="0.25085427"
                           y3="2.05743"
                           yFract="0.24377133"
                           z3="8.55209"
                           zFract="0.38488254"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19966"
                           xFract="0.49759005"
                           y3="2.00728"
                           yFract="0.23782938"
                           z3="6.47038"
                           zFract="0.29119622"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50263"
                           xFract="0.77045379"
                           y3="0.09079"
                           yFract="0.01075711"
                           z3="6.42556"
                           zFract="0.28917912"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22191"
                           xFract="0.5002263"
                           y3="8.40006"
                           yFract="0.99526777"
                           z3="4.14875"
                           zFract="0.18671242"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33107"
                           xFract="0.51315995"
                           y3="8.43052"
                           yFract="0.99887678"
                           z3="8.80886"
                           zFract="0.39643834"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31472"
                           xFract="0.74818957"
                           y3="2.17538"
                           yFract="0.25774645"
                           z3="4.13825"
                           zFract="0.18623987"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3614"
                           xFract="0.75372038"
                           y3="2.25876"
                           yFract="0.26762559"
                           z3="8.73365"
                           zFract="0.39305356"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41133"
                           xFract="0.99660308"
                           y3="6.47481"
                           yFract="0.76715758"
                           z3="6.29319"
                           zFract="0.28322187"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08278"
                           xFract="0.24677488"
                           y3="4.20078"
                           yFract="0.49772275"
                           z3="6.28047"
                           zFract="0.28264941"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00076"
                           xFract="-0.00009005"
                           y3="4.22136"
                           yFract="0.50016114"
                           z3="4.32812"
                           zFract="0.19478488"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3588"
                           xFract="0.99037915"
                           y3="4.24697"
                           yFract="0.5031955"
                           z3="8.46716"
                           zFract="0.38106031"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15812"
                           xFract="0.25570142"
                           y3="6.32757"
                           yFract="0.74971209"
                           z3="4.19018"
                           zFract="0.18857696"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13441"
                           xFract="0.25289218"
                           y3="6.37319"
                           yFract="0.7551173"
                           z3="8.5681"
                           zFract="0.38560306"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23806"
                           xFract="0.50213981"
                           y3="6.41874"
                           yFract="0.76051422"
                           z3="6.38886"
                           zFract="0.28752745"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32868"
                           xFract="0.7498436"
                           y3="4.1185"
                           yFract="0.48797393"
                           z3="6.28078"
                           zFract="0.28266337"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21275"
                           xFract="0.499141"
                           y3="4.23969"
                           yFract="0.50233294"
                           z3="4.24276"
                           zFract="0.19094329"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29531"
                           xFract="0.50892299"
                           y3="4.21883"
                           yFract="0.49986137"
                           z3="8.52549"
                           zFract="0.38368542"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29123"
                           xFract="0.7454064"
                           y3="6.2548"
                           yFract="0.74109005"
                           z3="4.27422"
                           zFract="0.19235914"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34797"
                           xFract="0.75212915"
                           y3="6.16356"
                           yFract="0.73027962"
                           z3="8.46647"
                           zFract="0.38102925"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.35528"
                           xFract="0.98996209"
                           y3="-0.0030"
                           yFract="-0.00035545"
                           z3="10.10884"
                           zFract="0.45494329"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32817"
                           xFract="0.74978318"
                           y3="4.20898"
                           yFract="0.49869431"
                           z3="4.22375"
                           zFract="0.19008776"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03491"
                           xFract="0.00413626"
                           y3="0.02326"
                           yFract="0.00275592"
                           z3="6.26743"
                           zFract="0.28206256"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.32905"
                           xFract="0.74988744"
                           y3="4.19957"
                           yFract="0.49757938"
                           z3="8.50325"
                           zFract="0.38268452"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10774"
                           xFract="0.24973223"
                           y3="4.21507"
                           yFract="0.49941588"
                           z3="4.22835"
                           zFract="0.19029478"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25735"
                           xFract="0.50442536"
                           y3="6.3132"
                           yFract="0.74800948"
                           z3="8.48687"
                           zFract="0.38194734"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13732"
                           xFract="0.25323697"
                           y3="8.43791"
                           yFract="0.99975237"
                           z3="4.20644"
                           zFract="0.18930873"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25793"
                           xFract="0.50449408"
                           y3="2.12981"
                           yFract="0.25234716"
                           z3="8.5552"
                           zFract="0.3850225"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08752"
                           xFract="0.24733649"
                           y3="2.11363"
                           yFract="0.25043009"
                           z3="6.41978"
                           zFract="0.28891899"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22502"
                           xFract="0.50059479"
                           y3="6.31753"
                           yFract="0.74852251"
                           z3="4.24464"
                           zFract="0.1910279"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42367"
                           xFract="0.99806517"
                           y3="4.2206"
                           yFract="0.50007109"
                           z3="6.39711"
                           zFract="0.28789874"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0881"
                           xFract="0.24740521"
                           y3="4.21053"
                           yFract="0.49887796"
                           z3="8.65107"
                           zFract="0.38933708"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00234"
                           xFract="0.00027725"
                           y3="6.25196"
                           yFract="0.74075355"
                           z3="8.71682"
                           zFract="0.39229613"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34664"
                           xFract="0.75197156"
                           y3="6.31478"
                           yFract="0.74819668"
                           z3="6.39537"
                           zFract="0.28782043"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37205"
                           xFract="0.75498223"
                           y3="2.12296"
                           yFract="0.25153555"
                           z3="6.45065"
                           zFract="0.29030828"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22986"
                           xFract="0.50116825"
                           y3="-0.00268"
                           yFract="-0.00031754"
                           z3="6.39049"
                           zFract="0.28760081"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02104"
                           xFract="0.00249289"
                           y3="2.20067"
                           yFract="0.26074289"
                           z3="8.72024"
                           zFract="0.39245005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00286"
                           xFract="0.00033886"
                           y3="2.14489"
                           yFract="0.25413389"
                           z3="4.23738"
                           zFract="0.19070117"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06451"
                           xFract="0.24461019"
                           y3="6.2956"
                           yFract="0.74592417"
                           z3="6.43838"
                           zFract="0.28975608"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01052"
                           xFract="0.00124645"
                           y3="6.29982"
                           yFract="0.74642417"
                           z3="4.20661"
                           zFract="0.18931638"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2347"
                           xFract="0.50174171"
                           y3="2.10952"
                           yFract="0.24994313"
                           z3="4.28037"
                           zFract="0.19263591"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31039"
                           xFract="0.74767654"
                           y3="0.06028"
                           yFract="0.00714218"
                           z3="8.52489"
                           zFract="0.38365842"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23372"
                           xFract="0.26465877"
                           y3="-0.00014"
                           yFract="-0.00001659"
                           z3="8.50117"
                           zFract="0.38259091"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20048"
                           xFract="0.4976872"
                           y3="4.20261"
                           yFract="0.49793957"
                           z3="6.41353"
                           zFract="0.28863771"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31459"
                           xFract="0.74817417"
                           y3="0.00806"
                           yFract="0.00095498"
                           z3="4.23497"
                           zFract="0.19059271"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02758"
                           xFract="0.00326777"
                           y3="2.01167"
                           yFract="0.23834953"
                           z3="6.32799"
                           zFract="0.28478803"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98693"
                           xFract="0.23541825"
                           y3="0.01076"
                           yFract="0.00127488"
                           z3="6.35008"
                           zFract="0.28578218"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01598"
                           xFract="0.00189336"
                           y3="0.00588"
                           yFract="0.00069668"
                           z3="4.18524"
                           zFract="0.18835464"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29675"
                           xFract="0.98302725"
                           y3="8.36253"
                           yFract="0.99082109"
                           z3="9.13339"
                           zFract="0.41104365"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14191"
                           xFract="0.25378081"
                           y3="2.09991"
                           yFract="0.2488045"
                           z3="4.25601"
                           zFract="0.1915396"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12249"
                           xFract="0.25147986"
                           y3="2.05556"
                           yFract="0.24354976"
                           z3="8.55671"
                           zFract="0.38509046"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19845"
                           xFract="0.49744668"
                           y3="2.0077"
                           yFract="0.23787915"
                           z3="6.47068"
                           zFract="0.29120972"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50094"
                           xFract="0.77025355"
                           y3="0.0918"
                           yFract="0.01087678"
                           z3="6.43091"
                           zFract="0.28941989"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22257"
                           xFract="0.5003045"
                           y3="8.40045"
                           yFract="0.99531398"
                           z3="4.15086"
                           zFract="0.18680738"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32318"
                           xFract="0.51222512"
                           y3="8.43095"
                           yFract="0.99892773"
                           z3="8.80293"
                           zFract="0.39617147"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31449"
                           xFract="0.74816232"
                           y3="2.17562"
                           yFract="0.25777488"
                           z3="4.13805"
                           zFract="0.18623087"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36244"
                           xFract="0.7538436"
                           y3="2.25864"
                           yFract="0.26761137"
                           z3="8.73807"
                           zFract="0.39325248"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41051"
                           xFract="0.99650592"
                           y3="6.47476"
                           yFract="0.76715166"
                           z3="6.29594"
                           zFract="0.28334563"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08346"
                           xFract="0.24685545"
                           y3="4.20117"
                           yFract="0.49776896"
                           z3="6.28376"
                           zFract="0.28279748"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.22136"
                           yFract="0.50016114"
                           z3="4.3259"
                           zFract="0.19468497"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36228"
                           xFract="0.99079147"
                           y3="4.24784"
                           yFract="0.50329858"
                           z3="8.46854"
                           zFract="0.38112241"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15688"
                           xFract="0.2555545"
                           y3="6.32635"
                           yFract="0.74956754"
                           z3="4.18946"
                           zFract="0.18854455"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13942"
                           xFract="0.25348578"
                           y3="6.3753"
                           yFract="0.7553673"
                           z3="8.57332"
                           zFract="0.38583798"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23822"
                           xFract="0.50215877"
                           y3="6.41664"
                           yFract="0.7602654"
                           z3="6.39051"
                           zFract="0.28760171"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32927"
                           xFract="0.74991351"
                           y3="4.11793"
                           yFract="0.4879064"
                           z3="6.28217"
                           zFract="0.28272592"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21314"
                           xFract="0.4991872"
                           y3="4.24006"
                           yFract="0.50237678"
                           z3="4.2419"
                           zFract="0.19090459"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29478"
                           xFract="0.50886019"
                           y3="4.21891"
                           yFract="0.49987085"
                           z3="8.52621"
                           zFract="0.38371782"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2922"
                           xFract="0.74552133"
                           y3="6.25409"
                           yFract="0.74100592"
                           z3="4.27521"
                           zFract="0.19240369"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34862"
                           xFract="0.75220616"
                           y3="6.16356"
                           yFract="0.73027962"
                           z3="8.47113"
                           zFract="0.38123897"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a39" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.35893"
                           xFract="0.99039455"
                           y3="-0.00093"
                           yFract="-0.00011019"
                           z3="10.09914"
                           zFract="0.45450675"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32708"
                           xFract="0.74965403"
                           y3="4.20915"
                           yFract="0.49871445"
                           z3="4.22286"
                           zFract="0.1900477"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03021"
                           xFract="0.00357938"
                           y3="0.02344"
                           yFract="0.00277725"
                           z3="6.26504"
                           zFract="0.281955"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33119"
                           xFract="0.750141"
                           y3="4.19991"
                           yFract="0.49761967"
                           z3="8.50233"
                           zFract="0.38264311"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10837"
                           xFract="0.24980687"
                           y3="4.21516"
                           yFract="0.49942654"
                           z3="4.2269"
                           zFract="0.19022952"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25764"
                           xFract="0.50445972"
                           y3="6.31561"
                           yFract="0.74829502"
                           z3="8.48746"
                           zFract="0.3819739"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13626"
                           xFract="0.25311137"
                           y3="8.43803"
                           yFract="0.99976659"
                           z3="4.20607"
                           zFract="0.18929208"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2573"
                           xFract="0.50441943"
                           y3="2.12731"
                           yFract="0.25205095"
                           z3="8.55582"
                           zFract="0.38505041"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08743"
                           xFract="0.24732583"
                           y3="2.11443"
                           yFract="0.25052488"
                           z3="6.41853"
                           zFract="0.28886274"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2249"
                           xFract="0.50058057"
                           y3="6.31585"
                           yFract="0.74832346"
                           z3="4.24377"
                           zFract="0.19098875"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42327"
                           xFract="0.99801777"
                           y3="4.2204"
                           yFract="0.50004739"
                           z3="6.39829"
                           zFract="0.28795185"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08676"
                           xFract="0.24724645"
                           y3="4.21043"
                           yFract="0.49886611"
                           z3="8.65107"
                           zFract="0.38933708"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00058"
                           xFract="0.00006872"
                           y3="6.25016"
                           yFract="0.74054028"
                           z3="8.71285"
                           zFract="0.39211746"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34661"
                           xFract="0.75196801"
                           y3="6.31549"
                           yFract="0.74828081"
                           z3="6.39307"
                           zFract="0.28771692"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37189"
                           xFract="0.75496327"
                           y3="2.12178"
                           yFract="0.25139573"
                           z3="6.44894"
                           zFract="0.29023132"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23055"
                           xFract="0.50125"
                           y3="-0.00237"
                           yFract="-0.00028081"
                           z3="6.3883"
                           zFract="0.28750225"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0190"
                           xFract="0.00225118"
                           y3="2.20187"
                           yFract="0.26088507"
                           z3="8.71669"
                           zFract="0.39229028"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00239"
                           xFract="0.00028318"
                           y3="2.14431"
                           yFract="0.25406517"
                           z3="4.23764"
                           zFract="0.19071287"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06472"
                           xFract="0.24463507"
                           y3="6.2944"
                           yFract="0.74578199"
                           z3="6.43751"
                           zFract="0.28971692"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0103"
                           xFract="0.00122038"
                           y3="6.29959"
                           yFract="0.74639692"
                           z3="4.20675"
                           zFract="0.18932268"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23508"
                           xFract="0.50178673"
                           y3="2.11106"
                           yFract="0.25012559"
                           z3="4.27958"
                           zFract="0.19260036"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30835"
                           xFract="0.74743483"
                           y3="0.06042"
                           yFract="0.00715877"
                           z3="8.52179"
                           zFract="0.3835189"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23638"
                           xFract="0.26497393"
                           y3="-0.00038"
                           yFract="-0.00004502"
                           z3="8.49764"
                           zFract="0.38243204"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19932"
                           xFract="0.49754976"
                           y3="4.20264"
                           yFract="0.49794313"
                           z3="6.41307"
                           zFract="0.28861701"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3162"
                           xFract="0.74836493"
                           y3="0.00792"
                           yFract="0.00093839"
                           z3="4.23318"
                           zFract="0.19051215"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02764"
                           xFract="0.00327488"
                           y3="2.01186"
                           yFract="0.23837204"
                           z3="6.32712"
                           zFract="0.28474887"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98869"
                           xFract="0.23562678"
                           y3="0.01113"
                           yFract="0.00131872"
                           z3="6.34803"
                           zFract="0.28568992"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01646"
                           xFract="0.00195024"
                           y3="0.00607"
                           yFract="0.00071919"
                           z3="4.18463"
                           zFract="0.18832718"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2993"
                           xFract="0.98332938"
                           y3="8.36327"
                           yFract="0.99090877"
                           z3="9.1269"
                           zFract="0.41075158"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14274"
                           xFract="0.25387915"
                           y3="2.09974"
                           yFract="0.24878436"
                           z3="4.25614"
                           zFract="0.19154545"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11995"
                           xFract="0.25117891"
                           y3="2.05646"
                           yFract="0.2436564"
                           z3="8.55448"
                           zFract="0.3849901"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19903"
                           xFract="0.4975154"
                           y3="2.0075"
                           yFract="0.23785545"
                           z3="6.47053"
                           zFract="0.29120297"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50175"
                           xFract="0.77034953"
                           y3="0.09131"
                           yFract="0.01081872"
                           z3="6.42833"
                           zFract="0.28930378"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22225"
                           xFract="0.50026659"
                           y3="8.40027"
                           yFract="0.99529265"
                           z3="4.14984"
                           zFract="0.18676148"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32698"
                           xFract="0.51267536"
                           y3="8.43074"
                           yFract="0.99890284"
                           z3="8.80579"
                           zFract="0.39630018"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3146"
                           xFract="0.74817536"
                           y3="2.17551"
                           yFract="0.25776185"
                           z3="4.13814"
                           zFract="0.18623492"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36194"
                           xFract="0.75378436"
                           y3="2.2587"
                           yFract="0.26761848"
                           z3="8.73594"
                           zFract="0.39315662"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4109"
                           xFract="0.99655213"
                           y3="6.47478"
                           yFract="0.76715403"
                           z3="6.29461"
                           zFract="0.28328578"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08313"
                           xFract="0.24681635"
                           y3="4.20098"
                           yFract="0.49774645"
                           z3="6.28217"
                           zFract="0.28272592"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00037"
                           xFract="-0.00004384"
                           y3="4.22136"
                           yFract="0.50016114"
                           z3="4.32697"
                           zFract="0.19473312"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36061"
                           xFract="0.9905936"
                           y3="4.24742"
                           yFract="0.50324882"
                           z3="8.46788"
                           zFract="0.38109271"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15748"
                           xFract="0.25562559"
                           y3="6.32694"
                           yFract="0.74963744"
                           z3="4.18981"
                           zFract="0.18856031"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13701"
                           xFract="0.25320024"
                           y3="6.37428"
                           yFract="0.75524645"
                           z3="8.5708"
                           zFract="0.38572457"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23814"
                           xFract="0.50214929"
                           y3="6.41765"
                           yFract="0.76038507"
                           z3="6.38972"
                           zFract="0.28756616"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32898"
                           xFract="0.74987915"
                           y3="4.11821"
                           yFract="0.48793957"
                           z3="6.2815"
                           zFract="0.28269577"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21295"
                           xFract="0.49916469"
                           y3="4.23988"
                           yFract="0.50235545"
                           z3="4.24231"
                           zFract="0.19092304"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29504"
                           xFract="0.508891"
                           y3="4.21887"
                           yFract="0.49986611"
                           z3="8.52587"
                           zFract="0.38370252"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29174"
                           xFract="0.74546682"
                           y3="6.25443"
                           yFract="0.74104621"
                           z3="4.27473"
                           zFract="0.19238209"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34831"
                           xFract="0.75216943"
                           y3="6.16356"
                           yFract="0.73027962"
                           z3="8.46889"
                           zFract="0.38113816"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.35766"
                           xFract="0.99024408"
                           y3="-0.00166"
                           yFract="-0.00019668"
                           z3="10.10259"
                           zFract="0.45466202"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32708"
                           xFract="0.74965403"
                           y3="4.20909"
                           yFract="0.49870735"
                           z3="4.22294"
                           zFract="0.19005131"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02855"
                           xFract="0.0033827"
                           y3="0.02364"
                           yFract="0.00280095"
                           z3="6.2658"
                           zFract="0.2819892"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33166"
                           xFract="0.75019668"
                           y3="4.19995"
                           yFract="0.49762441"
                           z3="8.50277"
                           zFract="0.38266292"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10854"
                           xFract="0.24982701"
                           y3="4.21527"
                           yFract="0.49943957"
                           z3="4.2271"
                           zFract="0.19023852"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25767"
                           xFract="0.50446327"
                           y3="6.31554"
                           yFract="0.74828673"
                           z3="8.48763"
                           zFract="0.38198155"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13637"
                           xFract="0.25312441"
                           y3="8.4380"
                           yFract="0.99976303"
                           z3="4.20602"
                           zFract="0.18928983"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25749"
                           xFract="0.50444194"
                           y3="2.12739"
                           yFract="0.25206043"
                           z3="8.55587"
                           zFract="0.38505266"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08753"
                           xFract="0.24733768"
                           y3="2.11463"
                           yFract="0.25054858"
                           z3="6.41895"
                           zFract="0.28888164"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22505"
                           xFract="0.50059834"
                           y3="6.31565"
                           yFract="0.74829976"
                           z3="4.24397"
                           zFract="0.19099775"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42344"
                           xFract="0.99803791"
                           y3="4.2205"
                           yFract="0.50005924"
                           z3="6.39848"
                           zFract="0.2879604"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0870"
                           xFract="0.24727488"
                           y3="4.21051"
                           yFract="0.49887559"
                           z3="8.65116"
                           zFract="0.38934113"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00081"
                           xFract="0.00009597"
                           y3="6.25001"
                           yFract="0.74052251"
                           z3="8.7138"
                           zFract="0.39216022"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3468"
                           xFract="0.75199052"
                           y3="6.3156"
                           yFract="0.74829384"
                           z3="6.39366"
                           zFract="0.28774347"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37215"
                           xFract="0.75499408"
                           y3="2.12153"
                           yFract="0.25136611"
                           z3="6.44957"
                           zFract="0.29025968"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23057"
                           xFract="0.50125237"
                           y3="-0.00248"
                           yFract="-0.00029384"
                           z3="6.38917"
                           zFract="0.2875414"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01931"
                           xFract="0.00228791"
                           y3="2.20201"
                           yFract="0.26090166"
                           z3="8.71771"
                           zFract="0.39233618"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00223"
                           xFract="0.00026422"
                           y3="2.14441"
                           yFract="0.25407701"
                           z3="4.23782"
                           zFract="0.19072097"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06473"
                           xFract="0.24463626"
                           y3="6.29429"
                           yFract="0.74576896"
                           z3="6.43805"
                           zFract="0.28974122"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01013"
                           xFract="0.00120024"
                           y3="6.29959"
                           yFract="0.74639692"
                           z3="4.20703"
                           zFract="0.18933528"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23515"
                           xFract="0.50179502"
                           y3="2.1110"
                           yFract="0.25011848"
                           z3="4.27982"
                           zFract="0.19261116"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30799"
                           xFract="0.74739218"
                           y3="0.06038"
                           yFract="0.00715403"
                           z3="8.5224"
                           zFract="0.38354635"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23612"
                           xFract="0.26494313"
                           y3="-0.00035"
                           yFract="-0.00004147"
                           z3="8.49897"
                           zFract="0.3824919"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19946"
                           xFract="0.49756635"
                           y3="4.20261"
                           yFract="0.49793957"
                           z3="6.41271"
                           zFract="0.28860081"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31606"
                           xFract="0.74834834"
                           y3="0.00802"
                           yFract="0.00095024"
                           z3="4.23383"
                           zFract="0.1905414"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02797"
                           xFract="0.00331398"
                           y3="2.01168"
                           yFract="0.23835071"
                           z3="6.3274"
                           zFract="0.28476148"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98917"
                           xFract="0.23568365"
                           y3="0.0110"
                           yFract="0.00130332"
                           z3="6.34857"
                           zFract="0.28571422"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0166"
                           xFract="0.00196682"
                           y3="0.00605"
                           yFract="0.00071682"
                           z3="4.18467"
                           zFract="0.18832898"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29873"
                           xFract="0.98326185"
                           y3="8.36299"
                           yFract="0.99087559"
                           z3="9.12875"
                           zFract="0.41083483"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14255"
                           xFract="0.25385664"
                           y3="2.09957"
                           yFract="0.24876422"
                           z3="4.25639"
                           zFract="0.19155671"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12012"
                           xFract="0.25119905"
                           y3="2.0563"
                           yFract="0.24363744"
                           z3="8.55517"
                           zFract="0.38502115"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1989"
                           xFract="0.4975"
                           y3="2.00766"
                           yFract="0.23787441"
                           z3="6.47046"
                           zFract="0.29119982"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50251"
                           xFract="0.77043957"
                           y3="0.09152"
                           yFract="0.0108436"
                           z3="6.42902"
                           zFract="0.28933483"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22192"
                           xFract="0.50022749"
                           y3="8.40029"
                           yFract="0.99529502"
                           z3="4.15017"
                           zFract="0.18677633"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32676"
                           xFract="0.51264929"
                           y3="8.4307"
                           yFract="0.9988981"
                           z3="8.8047"
                           zFract="0.39625113"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3147"
                           xFract="0.7481872"
                           y3="2.17559"
                           yFract="0.25777133"
                           z3="4.13827"
                           zFract="0.18624077"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36233"
                           xFract="0.75383057"
                           y3="2.25876"
                           yFract="0.26762559"
                           z3="8.73668"
                           zFract="0.39318992"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41112"
                           xFract="0.9965782"
                           y3="6.4748"
                           yFract="0.7671564"
                           z3="6.29497"
                           zFract="0.28330198"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08318"
                           xFract="0.24682227"
                           y3="4.20107"
                           yFract="0.49775711"
                           z3="6.28274"
                           zFract="0.28275158"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="-0.00025"
                           xFract="-0.00002962"
                           y3="4.2214"
                           yFract="0.50016588"
                           z3="4.32698"
                           zFract="0.19473357"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36083"
                           xFract="0.99061967"
                           y3="4.24753"
                           yFract="0.50326185"
                           z3="8.46808"
                           zFract="0.38110171"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15741"
                           xFract="0.2556173"
                           y3="6.32712"
                           yFract="0.74965877"
                           z3="4.18999"
                           zFract="0.18856841"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13717"
                           xFract="0.25321919"
                           y3="6.37459"
                           yFract="0.75528318"
                           z3="8.57159"
                           zFract="0.38576013"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23811"
                           xFract="0.50214573"
                           y3="6.41743"
                           yFract="0.760359"
                           z3="6.3898"
                           zFract="0.28756976"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32921"
                           xFract="0.7499064"
                           y3="4.11833"
                           yFract="0.48795379"
                           z3="6.28182"
                           zFract="0.28271017"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21297"
                           xFract="0.49916706"
                           y3="4.23993"
                           yFract="0.50236137"
                           z3="4.24227"
                           zFract="0.19092124"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29482"
                           xFract="0.50886493"
                           y3="4.21883"
                           yFract="0.49986137"
                           z3="8.52607"
                           zFract="0.38371152"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29193"
                           xFract="0.74548934"
                           y3="6.25432"
                           yFract="0.74103318"
                           z3="4.2751"
                           zFract="0.19239874"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34851"
                           xFract="0.75219313"
                           y3="6.16338"
                           yFract="0.73025829"
                           z3="8.46971"
                           zFract="0.38117507"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.35386"
                           xFract="0.98979384"
                           y3="-0.00383"
                           yFract="-0.00045379"
                           z3="10.11293"
                           zFract="0.45512736"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32709"
                           xFract="0.74965521"
                           y3="4.20891"
                           yFract="0.49868602"
                           z3="4.22316"
                           zFract="0.19006121"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02356"
                           xFract="0.00279147"
                           y3="0.02425"
                           yFract="0.00287322"
                           z3="6.2681"
                           zFract="0.28209271"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33309"
                           xFract="0.75036611"
                           y3="4.20009"
                           yFract="0.497641"
                           z3="8.5041"
                           zFract="0.38272277"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10906"
                           xFract="0.24988863"
                           y3="4.21559"
                           yFract="0.49947749"
                           z3="4.2277"
                           zFract="0.19026553"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25775"
                           xFract="0.50447275"
                           y3="6.31532"
                           yFract="0.74826066"
                           z3="8.48814"
                           zFract="0.3820045"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13668"
                           xFract="0.25316114"
                           y3="8.43789"
                           yFract="0.99975"
                           z3="4.20585"
                           zFract="0.18928218"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25804"
                           xFract="0.50450711"
                           y3="2.12764"
                           yFract="0.25209005"
                           z3="8.55602"
                           zFract="0.38505941"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08783"
                           xFract="0.24737322"
                           y3="2.11525"
                           yFract="0.25062204"
                           z3="6.42019"
                           zFract="0.28893744"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22549"
                           xFract="0.50065047"
                           y3="6.31506"
                           yFract="0.74822986"
                           z3="4.24459"
                           zFract="0.19102565"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42394"
                           xFract="0.99809716"
                           y3="4.22081"
                           yFract="0.50009597"
                           z3="6.39906"
                           zFract="0.2879865"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0877"
                           xFract="0.24735782"
                           y3="4.21077"
                           yFract="0.4989064"
                           z3="8.65143"
                           zFract="0.38935329"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00151"
                           xFract="0.00017891"
                           y3="6.24955"
                           yFract="0.74046801"
                           z3="8.71665"
                           zFract="0.39228848"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34737"
                           xFract="0.75205806"
                           y3="6.31593"
                           yFract="0.74833294"
                           z3="6.39543"
                           zFract="0.28782313"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37294"
                           xFract="0.75508768"
                           y3="2.12076"
                           yFract="0.25127488"
                           z3="6.45146"
                           zFract="0.29034473"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23062"
                           xFract="0.50125829"
                           y3="-0.00279"
                           yFract="-0.00033057"
                           z3="6.39176"
                           zFract="0.28765797"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02024"
                           xFract="0.0023981"
                           y3="2.20244"
                           yFract="0.26095261"
                           z3="8.72076"
                           zFract="0.39247345"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00176"
                           xFract="0.00020853"
                           y3="2.14471"
                           yFract="0.25411256"
                           z3="4.23837"
                           zFract="0.19074572"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06477"
                           xFract="0.244641"
                           y3="6.29394"
                           yFract="0.74572749"
                           z3="6.43966"
                           zFract="0.28981368"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00963"
                           xFract="0.001141"
                           y3="6.29957"
                           yFract="0.74639455"
                           z3="4.20787"
                           zFract="0.18937309"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23539"
                           xFract="0.50182346"
                           y3="2.11081"
                           yFract="0.25009597"
                           z3="4.28054"
                           zFract="0.19264356"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30692"
                           xFract="0.7472654"
                           y3="0.06027"
                           yFract="0.007141"
                           z3="8.52424"
                           zFract="0.38362916"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23532"
                           xFract="0.26484834"
                           y3="-0.00027"
                           yFract="-0.00003199"
                           z3="8.50296"
                           zFract="0.38267147"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.19985"
                           xFract="0.49761256"
                           y3="4.20251"
                           yFract="0.49792773"
                           z3="6.41161"
                           zFract="0.28855131"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31562"
                           xFract="0.74829621"
                           y3="0.00834"
                           yFract="0.00098815"
                           z3="4.23577"
                           zFract="0.19062871"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02897"
                           xFract="0.00343246"
                           y3="2.01115"
                           yFract="0.23828791"
                           z3="6.32823"
                           zFract="0.28479883"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9906"
                           xFract="0.23585308"
                           y3="0.0106"
                           yFract="0.00125592"
                           z3="6.35018"
                           zFract="0.28578668"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0170"
                           xFract="0.00201422"
                           y3="0.00597"
                           yFract="0.00070735"
                           z3="4.18479"
                           zFract="0.18833438"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2970"
                           xFract="0.98305687"
                           y3="8.36217"
                           yFract="0.99077844"
                           z3="9.13428"
                           zFract="0.41108371"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14198"
                           xFract="0.2537891"
                           y3="2.09904"
                           yFract="0.24870142"
                           z3="4.25713"
                           zFract="0.19159001"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12064"
                           xFract="0.25126066"
                           y3="2.05583"
                           yFract="0.24358175"
                           z3="8.55723"
                           zFract="0.38511386"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19851"
                           xFract="0.49745379"
                           y3="2.00815"
                           yFract="0.23793246"
                           z3="6.47024"
                           zFract="0.29118992"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50476"
                           xFract="0.77070616"
                           y3="0.09213"
                           yFract="0.01091588"
                           z3="6.43109"
                           zFract="0.28942799"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22094"
                           xFract="0.50011137"
                           y3="8.40037"
                           yFract="0.9953045"
                           z3="4.15115"
                           zFract="0.18682043"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32609"
                           xFract="0.51256991"
                           y3="8.43058"
                           yFract="0.99888389"
                           z3="8.80144"
                           zFract="0.39610441"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3150"
                           xFract="0.74822275"
                           y3="2.17583"
                           yFract="0.25779976"
                           z3="4.13864"
                           zFract="0.18625743"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3635"
                           xFract="0.75396919"
                           y3="2.25895"
                           yFract="0.2676481"
                           z3="8.73889"
                           zFract="0.39328938"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41177"
                           xFract="0.99665521"
                           y3="6.47485"
                           yFract="0.76716232"
                           z3="6.29606"
                           zFract="0.28335104"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08333"
                           xFract="0.24684005"
                           y3="4.20133"
                           yFract="0.49778791"
                           z3="6.28443"
                           zFract="0.28282763"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0001"
                           xFract="0.00001185"
                           y3="4.22152"
                           yFract="0.50018009"
                           z3="4.32702"
                           zFract="0.19473537"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3615"
                           xFract="0.99069905"
                           y3="4.24786"
                           yFract="0.50330095"
                           z3="8.46869"
                           zFract="0.38112916"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1572"
                           xFract="0.25559242"
                           y3="6.32767"
                           yFract="0.74972393"
                           z3="4.19054"
                           zFract="0.18859316"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13768"
                           xFract="0.25327962"
                           y3="6.37552"
                           yFract="0.75539336"
                           z3="8.57395"
                           zFract="0.38586634"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23802"
                           xFract="0.50213507"
                           y3="6.41676"
                           yFract="0.76027962"
                           z3="6.39004"
                           zFract="0.28758056"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.32989"
                           xFract="0.74998697"
                           y3="4.11869"
                           yFract="0.48799645"
                           z3="6.28279"
                           zFract="0.28275383"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21304"
                           xFract="0.49917536"
                           y3="4.24009"
                           yFract="0.50238033"
                           z3="4.24214"
                           zFract="0.19091539"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29417"
                           xFract="0.50878791"
                           y3="4.21872"
                           yFract="0.49984834"
                           z3="8.5267"
                           zFract="0.38373987"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2925"
                           xFract="0.74555687"
                           y3="6.2540"
                           yFract="0.74099526"
                           z3="4.2762"
                           zFract="0.19244824"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34911"
                           xFract="0.75226422"
                           y3="6.16283"
                           yFract="0.73019313"
                           z3="8.47217"
                           zFract="0.38128578"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.34625"
                           xFract="0.98889218"
                           y3="-0.00816"
                           yFract="-0.00096682"
                           z3="10.13362"
                           zFract="0.45605851"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3271"
                           xFract="0.7496564"
                           y3="4.20854"
                           yFract="0.49864218"
                           z3="4.22361"
                           zFract="0.19008146"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01359"
                           xFract="0.00161019"
                           y3="0.02546"
                           yFract="0.00301659"
                           z3="6.27269"
                           zFract="0.28229928"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33595"
                           xFract="0.75070498"
                           y3="4.20038"
                           yFract="0.49767536"
                           z3="8.50676"
                           zFract="0.38284248"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1101"
                           xFract="0.25001185"
                           y3="4.21623"
                           yFract="0.49955332"
                           z3="4.22889"
                           zFract="0.19031908"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25792"
                           xFract="0.50449289"
                           y3="6.31488"
                           yFract="0.74820853"
                           z3="8.48915"
                           zFract="0.38204995"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1373"
                           xFract="0.2532346"
                           y3="8.43767"
                           yFract="0.99972393"
                           z3="4.2055"
                           zFract="0.18926643"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25914"
                           xFract="0.50463744"
                           y3="2.12813"
                           yFract="0.2521481"
                           z3="8.55633"
                           zFract="0.38507336"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08842"
                           xFract="0.24744313"
                           y3="2.11648"
                           yFract="0.25076777"
                           z3="6.42268"
                           zFract="0.2890495"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22637"
                           xFract="0.50075474"
                           y3="6.31386"
                           yFract="0.74808768"
                           z3="4.24581"
                           zFract="0.19108056"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42493"
                           xFract="0.99821445"
                           y3="4.22143"
                           yFract="0.50016943"
                           z3="6.4002"
                           zFract="0.2880378"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0891"
                           xFract="0.2475237"
                           y3="4.21129"
                           yFract="0.49896801"
                           z3="8.65197"
                           zFract="0.38937759"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00291"
                           xFract="0.00034479"
                           y3="6.24865"
                           yFract="0.74036137"
                           z3="8.72235"
                           zFract="0.392545"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3485"
                           xFract="0.75219194"
                           y3="6.3166"
                           yFract="0.74841232"
                           z3="6.39898"
                           zFract="0.2879829"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3745"
                           xFract="0.75527251"
                           y3="2.11923"
                           yFract="0.2510936"
                           z3="6.45523"
                           zFract="0.2905144"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23073"
                           xFract="0.50127133"
                           y3="-0.00342"
                           yFract="-0.00040521"
                           z3="6.39695"
                           zFract="0.28789154"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02209"
                           xFract="0.0026173"
                           y3="2.2033"
                           yFract="0.2610545"
                           z3="8.72686"
                           zFract="0.39274797"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00082"
                           xFract="0.00009716"
                           y3="2.14532"
                           yFract="0.25418483"
                           z3="4.23946"
                           zFract="0.19079478"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06486"
                           xFract="0.24465166"
                           y3="6.29326"
                           yFract="0.74564692"
                           z3="6.44289"
                           zFract="0.28995905"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00861"
                           xFract="0.00102014"
                           y3="6.29954"
                           yFract="0.746391"
                           z3="4.20954"
                           zFract="0.18944824"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23585"
                           xFract="0.50187796"
                           y3="2.11044"
                           yFract="0.25005213"
                           z3="4.28199"
                           zFract="0.19270882"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30477"
                           xFract="0.74701066"
                           y3="0.06003"
                           yFract="0.00711256"
                           z3="8.52792"
                           zFract="0.38379478"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23373"
                           xFract="0.26465995"
                           y3="-0.00012"
                           yFract="-0.00001422"
                           z3="8.51094"
                           zFract="0.3830306"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20064"
                           xFract="0.49770616"
                           y3="4.20231"
                           yFract="0.49790403"
                           z3="6.40942"
                           zFract="0.28845275"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31473"
                           xFract="0.74819076"
                           y3="0.00897"
                           yFract="0.0010628"
                           z3="4.23967"
                           zFract="0.19080423"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03096"
                           xFract="0.00366825"
                           y3="2.01008"
                           yFract="0.23816114"
                           z3="6.32991"
                           zFract="0.28487444"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99347"
                           xFract="0.23619313"
                           y3="0.00981"
                           yFract="0.00116232"
                           z3="6.35341"
                           zFract="0.28593204"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01781"
                           xFract="0.00211019"
                           y3="0.00582"
                           yFract="0.00068957"
                           z3="4.18502"
                           zFract="0.18834473"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29355"
                           xFract="0.9826481"
                           y3="8.36052"
                           yFract="0.99058294"
                           z3="9.14536"
                           zFract="0.41158236"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14083"
                           xFract="0.25365284"
                           y3="2.09798"
                           yFract="0.24857583"
                           z3="4.25861"
                           zFract="0.19165662"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12169"
                           xFract="0.25138507"
                           y3="2.05488"
                           yFract="0.24346919"
                           z3="8.56135"
                           zFract="0.38529928"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19772"
                           xFract="0.49736019"
                           y3="2.00913"
                           yFract="0.23804858"
                           z3="6.46979"
                           zFract="0.29116967"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50928"
                           xFract="0.77124171"
                           y3="0.09334"
                           yFract="0.01105924"
                           z3="6.43522"
                           zFract="0.28961386"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21897"
                           xFract="0.49987796"
                           y3="8.40052"
                           yFract="0.99532227"
                           z3="4.1531"
                           zFract="0.18690819"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32475"
                           xFract="0.51241114"
                           y3="8.43034"
                           yFract="0.99885545"
                           z3="8.79491"
                           zFract="0.39581053"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31561"
                           xFract="0.74829502"
                           y3="2.17631"
                           yFract="0.25785664"
                           z3="4.13938"
                           zFract="0.18629073"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36586"
                           xFract="0.75424882"
                           y3="2.25932"
                           yFract="0.26769194"
                           z3="8.74332"
                           zFract="0.39348875"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41307"
                           xFract="0.99680924"
                           y3="6.47495"
                           yFract="0.76717417"
                           z3="6.29822"
                           zFract="0.28344824"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08362"
                           xFract="0.24687441"
                           y3="4.20184"
                           yFract="0.49784834"
                           z3="6.28781"
                           zFract="0.28297975"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00079"
                           xFract="0.0000936"
                           y3="4.22175"
                           yFract="0.50020735"
                           z3="4.32709"
                           zFract="0.19473852"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36284"
                           xFract="0.99085782"
                           y3="4.24852"
                           yFract="0.50337915"
                           z3="8.46991"
                           zFract="0.38118407"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15678"
                           xFract="0.25554265"
                           y3="6.32878"
                           yFract="0.74985545"
                           z3="4.19164"
                           zFract="0.18864266"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1387"
                           xFract="0.25340047"
                           y3="6.37739"
                           yFract="0.75561493"
                           z3="8.57867"
                           zFract="0.38607876"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23784"
                           xFract="0.50211374"
                           y3="6.41544"
                           yFract="0.76012322"
                           z3="6.39052"
                           zFract="0.28760216"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33126"
                           xFract="0.75014929"
                           y3="4.11942"
                           yFract="0.48808294"
                           z3="6.28472"
                           zFract="0.28284068"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21318"
                           xFract="0.49919194"
                           y3="4.24041"
                           yFract="0.50241825"
                           z3="4.24189"
                           zFract="0.19090414"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29286"
                           xFract="0.5086327"
                           y3="4.21849"
                           yFract="0.49982109"
                           z3="8.52795"
                           zFract="0.38379613"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29364"
                           xFract="0.74569194"
                           y3="6.25334"
                           yFract="0.74091706"
                           z3="4.2784"
                           zFract="0.19254725"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35032"
                           xFract="0.75240758"
                           y3="6.16173"
                           yFract="0.7300628"
                           z3="8.47709"
                           zFract="0.3815072"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.35114"
                           xFract="0.98947156"
                           y3="-0.00537"
                           yFract="-0.00063626"
                           z3="10.12032"
                           zFract="0.45545995"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32709"
                           xFract="0.74965521"
                           y3="4.20878"
                           yFract="0.49867062"
                           z3="4.22332"
                           zFract="0.19006841"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.0200"
                           xFract="0.00236967"
                           y3="0.02468"
                           yFract="0.00292417"
                           z3="6.26974"
                           zFract="0.28216652"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33411"
                           xFract="0.75048697"
                           y3="4.2002"
                           yFract="0.49765403"
                           z3="8.50505"
                           zFract="0.38276553"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10943"
                           xFract="0.24993246"
                           y3="4.21582"
                           yFract="0.49950474"
                           z3="4.22812"
                           zFract="0.19028443"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25781"
                           xFract="0.50447986"
                           y3="6.31516"
                           yFract="0.74824171"
                           z3="8.4885"
                           zFract="0.3820207"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1369"
                           xFract="0.2531872"
                           y3="8.43781"
                           yFract="0.99974052"
                           z3="4.20572"
                           zFract="0.18927633"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25843"
                           xFract="0.50455332"
                           y3="2.12781"
                           yFract="0.25211019"
                           z3="8.55613"
                           zFract="0.38506436"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08804"
                           xFract="0.2473981"
                           y3="2.11569"
                           yFract="0.25067417"
                           z3="6.42108"
                           zFract="0.2889775"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2258"
                           xFract="0.5006872"
                           y3="6.31463"
                           yFract="0.74817891"
                           z3="4.24502"
                           zFract="0.191045"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42429"
                           xFract="0.99813863"
                           y3="4.22103"
                           yFract="0.50012204"
                           z3="6.39947"
                           zFract="0.28800495"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0882"
                           xFract="0.24741706"
                           y3="4.21096"
                           yFract="0.49892891"
                           z3="8.65162"
                           zFract="0.38936184"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00201"
                           xFract="0.00023815"
                           y3="6.24923"
                           yFract="0.74043009"
                           z3="8.71868"
                           zFract="0.39237984"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34777"
                           xFract="0.75210545"
                           y3="6.31617"
                           yFract="0.74836137"
                           z3="6.3967"
                           zFract="0.28788029"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3735"
                           xFract="0.75515403"
                           y3="2.12022"
                           yFract="0.2512109"
                           z3="6.4528"
                           zFract="0.29040504"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23066"
                           xFract="0.50126303"
                           y3="-0.00301"
                           yFract="-0.00035664"
                           z3="6.39361"
                           zFract="0.28774122"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0209"
                           xFract="0.0024763"
                           y3="2.20275"
                           yFract="0.26098934"
                           z3="8.72294"
                           zFract="0.39257156"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00143"
                           xFract="0.00016943"
                           y3="2.14493"
                           yFract="0.25413863"
                           z3="4.23876"
                           zFract="0.19076328"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0648"
                           xFract="0.24464455"
                           y3="6.2937"
                           yFract="0.74569905"
                           z3="6.44081"
                           zFract="0.28986544"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00926"
                           xFract="0.00109716"
                           y3="6.29956"
                           yFract="0.74639336"
                           z3="4.20846"
                           zFract="0.18939964"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23555"
                           xFract="0.50184242"
                           y3="2.11068"
                           yFract="0.25008057"
                           z3="4.28106"
                           zFract="0.19266697"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30615"
                           xFract="0.74717417"
                           y3="0.06018"
                           yFract="0.00713033"
                           z3="8.52555"
                           zFract="0.38368812"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23475"
                           xFract="0.26478081"
                           y3="-0.00022"
                           yFract="-0.00002607"
                           z3="8.50581"
                           zFract="0.38279973"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20013"
                           xFract="0.49764573"
                           y3="4.20244"
                           yFract="0.49791943"
                           z3="6.41083"
                           zFract="0.2885162"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3153"
                           xFract="0.74825829"
                           y3="0.00856"
                           yFract="0.00101422"
                           z3="4.23716"
                           zFract="0.19069127"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02968"
                           xFract="0.00351659"
                           y3="2.01077"
                           yFract="0.23824289"
                           z3="6.32883"
                           zFract="0.28482583"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99163"
                           xFract="0.23597512"
                           y3="0.01032"
                           yFract="0.00122275"
                           z3="6.35134"
                           zFract="0.28583888"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01729"
                           xFract="0.00204858"
                           y3="0.00592"
                           yFract="0.00070142"
                           z3="4.18487"
                           zFract="0.18833798"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29577"
                           xFract="0.98291114"
                           y3="8.36158"
                           yFract="0.99070853"
                           z3="9.13824"
                           zFract="0.41126193"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14157"
                           xFract="0.25374052"
                           y3="2.09866"
                           yFract="0.2486564"
                           z3="4.25766"
                           zFract="0.19161386"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12102"
                           xFract="0.25130569"
                           y3="2.05549"
                           yFract="0.24354147"
                           z3="8.5587"
                           zFract="0.38518002"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19823"
                           xFract="0.49742062"
                           y3="2.0085"
                           yFract="0.23797393"
                           z3="6.47008"
                           zFract="0.29118272"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50638"
                           xFract="0.7708981"
                           y3="0.09256"
                           yFract="0.01096682"
                           z3="6.43256"
                           zFract="0.28949415"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22023"
                           xFract="0.50002725"
                           y3="8.40042"
                           yFract="0.99531043"
                           z3="4.15185"
                           zFract="0.18685194"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32561"
                           xFract="0.51251303"
                           y3="8.4305"
                           yFract="0.99887441"
                           z3="8.79911"
                           zFract="0.39599955"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31522"
                           xFract="0.74824882"
                           y3="2.1760"
                           yFract="0.25781991"
                           z3="4.13891"
                           zFract="0.18626958"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36434"
                           xFract="0.75406872"
                           y3="2.25908"
                           yFract="0.26766351"
                           z3="8.74047"
                           zFract="0.39336049"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41223"
                           xFract="0.99670972"
                           y3="6.47488"
                           yFract="0.76716588"
                           z3="6.29683"
                           zFract="0.28338569"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08343"
                           xFract="0.2468519"
                           y3="4.20151"
                           yFract="0.49780924"
                           z3="6.28563"
                           zFract="0.28288164"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00034"
                           xFract="0.00004028"
                           y3="4.2216"
                           yFract="0.50018957"
                           z3="4.32704"
                           zFract="0.19473627"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36198"
                           xFract="0.99075592"
                           y3="4.2481"
                           yFract="0.50332938"
                           z3="8.46913"
                           zFract="0.38114896"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15705"
                           xFract="0.25557464"
                           y3="6.32807"
                           yFract="0.74977133"
                           z3="4.19093"
                           zFract="0.18861071"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13805"
                           xFract="0.25332346"
                           y3="6.37619"
                           yFract="0.75547275"
                           z3="8.57563"
                           zFract="0.38594194"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23796"
                           xFract="0.50212796"
                           y3="6.41629"
                           yFract="0.76022393"
                           z3="6.39021"
                           zFract="0.28758821"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33038"
                           xFract="0.75004502"
                           y3="4.11895"
                           yFract="0.48802725"
                           z3="6.28348"
                           zFract="0.28278488"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21309"
                           xFract="0.49918128"
                           y3="4.24021"
                           yFract="0.50239455"
                           z3="4.24205"
                           zFract="0.19091134"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2937"
                           xFract="0.50873223"
                           y3="4.21864"
                           yFract="0.49983886"
                           z3="8.52714"
                           zFract="0.38375968"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29291"
                           xFract="0.74560545"
                           y3="6.25376"
                           yFract="0.74096682"
                           z3="4.27698"
                           zFract="0.19248335"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34955"
                           xFract="0.75231635"
                           y3="6.16244"
                           yFract="0.73014692"
                           z3="8.47393"
                           zFract="0.38136499"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.35021"
                           xFract="0.98936137"
                           y3="-0.00594"
                           yFract="-0.00070379"
                           z3="10.12155"
                           zFract="0.4555153"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32707"
                           xFract="0.74965284"
                           y3="4.20875"
                           yFract="0.49866706"
                           z3="4.22337"
                           zFract="0.19007066"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01913"
                           xFract="0.00226659"
                           y3="0.02479"
                           yFract="0.0029372"
                           z3="6.27021"
                           zFract="0.28218767"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33451"
                           xFract="0.75053436"
                           y3="4.20023"
                           yFract="0.49765758"
                           z3="8.50535"
                           zFract="0.38277903"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10957"
                           xFract="0.24994905"
                           y3="4.2159"
                           yFract="0.49951422"
                           z3="4.2282"
                           zFract="0.19028803"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25785"
                           xFract="0.5044846"
                           y3="6.31516"
                           yFract="0.74824171"
                           z3="8.48865"
                           zFract="0.38202745"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13688"
                           xFract="0.25318483"
                           y3="8.43779"
                           yFract="0.99973815"
                           z3="4.20575"
                           zFract="0.18927768"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25854"
                           xFract="0.50456635"
                           y3="2.12781"
                           yFract="0.25211019"
                           z3="8.55619"
                           zFract="0.38506706"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.0881"
                           xFract="0.24740521"
                           y3="2.11579"
                           yFract="0.25068602"
                           z3="6.42135"
                           zFract="0.28898965"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22589"
                           xFract="0.50069787"
                           y3="6.31444"
                           yFract="0.7481564"
                           z3="4.24515"
                           zFract="0.19105086"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42439"
                           xFract="0.99815047"
                           y3="4.2211"
                           yFract="0.50013033"
                           z3="6.39967"
                           zFract="0.28801395"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08834"
                           xFract="0.24743365"
                           y3="4.21102"
                           yFract="0.49893602"
                           z3="8.65172"
                           zFract="0.38936634"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00212"
                           xFract="0.00025118"
                           y3="6.24906"
                           yFract="0.74040995"
                           z3="8.71928"
                           zFract="0.39240684"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34791"
                           xFract="0.75212204"
                           y3="6.31625"
                           yFract="0.74837085"
                           z3="6.39707"
                           zFract="0.28789694"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37368"
                           xFract="0.75517536"
                           y3="2.12007"
                           yFract="0.25119313"
                           z3="6.45323"
                           zFract="0.29042439"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23066"
                           xFract="0.50126303"
                           y3="-0.00308"
                           yFract="-0.00036493"
                           z3="6.39416"
                           zFract="0.28776598"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02106"
                           xFract="0.00249526"
                           y3="2.20288"
                           yFract="0.26100474"
                           z3="8.72361"
                           zFract="0.39260171"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00132"
                           xFract="0.0001564"
                           y3="2.14495"
                           yFract="0.254141"
                           z3="4.23892"
                           zFract="0.19077048"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06481"
                           xFract="0.24464573"
                           y3="6.29365"
                           yFract="0.74569313"
                           z3="6.44121"
                           zFract="0.28988344"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00915"
                           xFract="0.00108412"
                           y3="6.29958"
                           yFract="0.74639573"
                           z3="4.20869"
                           zFract="0.18940999"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2356"
                           xFract="0.50184834"
                           y3="2.11069"
                           yFract="0.25008175"
                           z3="4.28121"
                           zFract="0.19267372"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30587"
                           xFract="0.747141"
                           y3="0.06016"
                           yFract="0.00712796"
                           z3="8.52596"
                           zFract="0.38370657"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23459"
                           xFract="0.26476185"
                           y3="-0.0002"
                           yFract="-0.0000237"
                           z3="8.50664"
                           zFract="0.38283708"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20022"
                           xFract="0.4976564"
                           y3="4.20242"
                           yFract="0.49791706"
                           z3="6.41058"
                           zFract="0.28850495"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31526"
                           xFract="0.74825355"
                           y3="0.00863"
                           yFract="0.00102251"
                           z3="4.23754"
                           zFract="0.19070837"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.02987"
                           xFract="0.0035391"
                           y3="2.01067"
                           yFract="0.23823104"
                           z3="6.32903"
                           zFract="0.28483483"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99183"
                           xFract="0.23599882"
                           y3="0.01023"
                           yFract="0.00121209"
                           z3="6.3517"
                           zFract="0.28585509"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01736"
                           xFract="0.00205687"
                           y3="0.00591"
                           yFract="0.00070024"
                           z3="4.18489"
                           zFract="0.18833888"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29548"
                           xFract="0.98287678"
                           y3="8.36147"
                           yFract="0.9906955"
                           z3="9.14056"
                           zFract="0.41136634"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14148"
                           xFract="0.25372986"
                           y3="2.09858"
                           yFract="0.24864692"
                           z3="4.25783"
                           zFract="0.19162151"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12105"
                           xFract="0.25130924"
                           y3="2.05541"
                           yFract="0.24353199"
                           z3="8.55915"
                           zFract="0.38520027"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.1982"
                           xFract="0.49741706"
                           y3="2.00862"
                           yFract="0.23798815"
                           z3="6.47005"
                           zFract="0.29118137"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.5068"
                           xFract="0.77094787"
                           y3="0.09269"
                           yFract="0.01098223"
                           z3="6.43302"
                           zFract="0.28951485"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22006"
                           xFract="0.50000711"
                           y3="8.40042"
                           yFract="0.99531043"
                           z3="4.15205"
                           zFract="0.18686094"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32562"
                           xFract="0.51251422"
                           y3="8.43046"
                           yFract="0.99886967"
                           z3="8.79841"
                           zFract="0.39596805"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31529"
                           xFract="0.74825711"
                           y3="2.17604"
                           yFract="0.25782464"
                           z3="4.13901"
                           zFract="0.18627408"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3646"
                           xFract="0.75409953"
                           y3="2.25912"
                           yFract="0.26766825"
                           z3="8.74096"
                           zFract="0.39338254"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41235"
                           xFract="0.99672393"
                           y3="6.47492"
                           yFract="0.76717062"
                           z3="6.29708"
                           zFract="0.28339694"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08344"
                           xFract="0.24685308"
                           y3="4.20158"
                           yFract="0.49781754"
                           z3="6.28599"
                           zFract="0.28289784"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00043"
                           xFract="0.00005095"
                           y3="4.22163"
                           yFract="0.50019313"
                           z3="4.32712"
                           zFract="0.19473987"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36211"
                           xFract="0.99077133"
                           y3="4.24816"
                           yFract="0.50333649"
                           z3="8.46927"
                           zFract="0.38115527"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15703"
                           xFract="0.25557227"
                           y3="6.32818"
                           yFract="0.74978436"
                           z3="4.19106"
                           zFract="0.18861656"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13807"
                           xFract="0.25332583"
                           y3="6.37637"
                           yFract="0.75549408"
                           z3="8.57616"
                           zFract="0.3859658"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23797"
                           xFract="0.50212915"
                           y3="6.41616"
                           yFract="0.76020853"
                           z3="6.39027"
                           zFract="0.28759091"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33055"
                           xFract="0.75006517"
                           y3="4.11901"
                           yFract="0.48803436"
                           z3="6.28372"
                           zFract="0.28279568"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2131"
                           xFract="0.49918246"
                           y3="4.24022"
                           yFract="0.50239573"
                           z3="4.24204"
                           zFract="0.19091089"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29357"
                           xFract="0.50871682"
                           y3="4.21861"
                           yFract="0.49983531"
                           z3="8.52729"
                           zFract="0.38376643"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29302"
                           xFract="0.74561848"
                           y3="6.25372"
                           yFract="0.74096209"
                           z3="4.27725"
                           zFract="0.1924955"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34968"
                           xFract="0.75233175"
                           y3="6.16233"
                           yFract="0.73013389"
                           z3="8.47446"
                           zFract="0.38138884"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.3474"
                           xFract="0.98902844"
                           y3="-0.00765"
                           yFract="-0.0009064"
                           z3="10.12523"
                           zFract="0.45568092"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32699"
                           xFract="0.74964336"
                           y3="4.20866"
                           yFract="0.4986564"
                           z3="4.22351"
                           zFract="0.19007696"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01651"
                           xFract="0.00195616"
                           y3="0.0251"
                           yFract="0.00297393"
                           z3="6.27161"
                           zFract="0.28225068"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33569"
                           xFract="0.75067417"
                           y3="4.20035"
                           yFract="0.4976718"
                           z3="8.50625"
                           zFract="0.38281953"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10997"
                           xFract="0.24999645"
                           y3="4.21615"
                           yFract="0.49954384"
                           z3="4.22845"
                           zFract="0.19029928"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25796"
                           xFract="0.50449763"
                           y3="6.31517"
                           yFract="0.74824289"
                           z3="8.48909"
                           zFract="0.38204725"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13682"
                           xFract="0.25317773"
                           y3="8.43773"
                           yFract="0.99973104"
                           z3="4.20585"
                           zFract="0.18928218"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25888"
                           xFract="0.50460664"
                           y3="2.12778"
                           yFract="0.25210664"
                           z3="8.55637"
                           zFract="0.38507516"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08827"
                           xFract="0.24742536"
                           y3="2.11608"
                           yFract="0.25072038"
                           z3="6.42217"
                           zFract="0.28902655"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22617"
                           xFract="0.50073104"
                           y3="6.31389"
                           yFract="0.74809123"
                           z3="4.24551"
                           zFract="0.19106706"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42468"
                           xFract="0.99818483"
                           y3="4.2213"
                           yFract="0.50015403"
                           z3="6.40027"
                           zFract="0.28804095"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08875"
                           xFract="0.24748223"
                           y3="4.2112"
                           yFract="0.49895735"
                           z3="8.6520"
                           zFract="0.38937894"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00244"
                           xFract="0.0002891"
                           y3="6.24856"
                           yFract="0.74035071"
                           z3="8.72106"
                           zFract="0.39248695"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34832"
                           xFract="0.75217062"
                           y3="6.31648"
                           yFract="0.7483981"
                           z3="6.3982"
                           zFract="0.28794779"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37425"
                           xFract="0.75524289"
                           y3="2.11964"
                           yFract="0.25114218"
                           z3="6.4545"
                           zFract="0.29048155"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23064"
                           xFract="0.50126066"
                           y3="-0.00328"
                           yFract="-0.00038863"
                           z3="6.3958"
                           zFract="0.28783978"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02154"
                           xFract="0.00255213"
                           y3="2.20329"
                           yFract="0.26105332"
                           z3="8.72561"
                           zFract="0.39269172"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00099"
                           xFract="0.0001173"
                           y3="2.14501"
                           yFract="0.2541481"
                           z3="4.23941"
                           zFract="0.19079253"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06485"
                           xFract="0.24465047"
                           y3="6.2935"
                           yFract="0.74567536"
                           z3="6.4424"
                           zFract="0.28993699"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00881"
                           xFract="0.00104384"
                           y3="6.29963"
                           yFract="0.74640166"
                           z3="4.20937"
                           zFract="0.18944059"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23576"
                           xFract="0.5018673"
                           y3="2.11071"
                           yFract="0.25008412"
                           z3="4.28167"
                           zFract="0.19269442"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30503"
                           xFract="0.74704147"
                           y3="0.06008"
                           yFract="0.00711848"
                           z3="8.52719"
                           zFract="0.38376193"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23411"
                           xFract="0.26470498"
                           y3="-0.00014"
                           yFract="-0.00001659"
                           z3="8.50913"
                           zFract="0.38294914"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20047"
                           xFract="0.49768602"
                           y3="4.20235"
                           yFract="0.49790877"
                           z3="6.40983"
                           zFract="0.2884712"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31514"
                           xFract="0.74823934"
                           y3="0.00884"
                           yFract="0.00104739"
                           z3="4.23865"
                           zFract="0.19075833"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03044"
                           xFract="0.00360664"
                           y3="2.01039"
                           yFract="0.23819787"
                           z3="6.32963"
                           zFract="0.28486184"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99245"
                           xFract="0.23607227"
                           y3="0.00996"
                           yFract="0.00118009"
                           z3="6.35279"
                           zFract="0.28590414"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01755"
                           xFract="0.00207938"
                           y3="0.00588"
                           yFract="0.00069668"
                           z3="4.18494"
                           zFract="0.18834113"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2946"
                           xFract="0.98277251"
                           y3="8.36114"
                           yFract="0.9906564"
                           z3="9.14753"
                           zFract="0.41168002"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14122"
                           xFract="0.25369905"
                           y3="2.09833"
                           yFract="0.2486173"
                           z3="4.25837"
                           zFract="0.19164581"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12114"
                           xFract="0.25131991"
                           y3="2.05517"
                           yFract="0.24350355"
                           z3="8.5605"
                           zFract="0.38526103"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19811"
                           xFract="0.4974064"
                           y3="2.00899"
                           yFract="0.23803199"
                           z3="6.46995"
                           zFract="0.29117687"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50805"
                           xFract="0.77109597"
                           y3="0.09307"
                           yFract="0.01102725"
                           z3="6.43438"
                           zFract="0.28957606"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21954"
                           xFract="0.4999455"
                           y3="8.40044"
                           yFract="0.9953128"
                           z3="4.15266"
                           zFract="0.18688839"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32565"
                           xFract="0.51251777"
                           y3="8.43037"
                           yFract="0.998859"
                           z3="8.79631"
                           zFract="0.39587354"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3155"
                           xFract="0.74828199"
                           y3="2.17615"
                           yFract="0.25783768"
                           z3="4.13931"
                           zFract="0.18628758"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36539"
                           xFract="0.75419313"
                           y3="2.25923"
                           yFract="0.26768128"
                           z3="8.74245"
                           zFract="0.39344959"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41269"
                           xFract="0.99676422"
                           y3="6.47503"
                           yFract="0.76718365"
                           z3="6.29782"
                           zFract="0.28343024"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08349"
                           xFract="0.246859"
                           y3="4.20177"
                           yFract="0.49784005"
                           z3="6.28706"
                           zFract="0.28294599"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0007"
                           xFract="0.00008294"
                           y3="4.2217"
                           yFract="0.50020142"
                           z3="4.32736"
                           zFract="0.19475068"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36253"
                           xFract="0.99082109"
                           y3="4.24836"
                           yFract="0.50336019"
                           z3="8.46971"
                           zFract="0.38117507"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15698"
                           xFract="0.25556635"
                           y3="6.3285"
                           yFract="0.74982227"
                           z3="4.19144"
                           zFract="0.18863366"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13814"
                           xFract="0.25333412"
                           y3="6.37691"
                           yFract="0.75555806"
                           z3="8.57772"
                           zFract="0.386036"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23799"
                           xFract="0.50213152"
                           y3="6.41575"
                           yFract="0.76015995"
                           z3="6.39045"
                           zFract="0.28759901"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33103"
                           xFract="0.75012204"
                           y3="4.11917"
                           yFract="0.48805332"
                           z3="6.28443"
                           zFract="0.28282763"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21312"
                           xFract="0.49918483"
                           y3="4.24026"
                           yFract="0.50240047"
                           z3="4.2420"
                           zFract="0.19090909"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29319"
                           xFract="0.5086718"
                           y3="4.21852"
                           yFract="0.49982464"
                           z3="8.52771"
                           zFract="0.38378533"/>
                     <atom elementType="O"
                           id="a79"
                           x3="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="6.25359"
                           yFract="0.74094668"
                           z3="4.27804"
                           zFract="0.19253105"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35007"
                           xFract="0.75237796"
                           y3="6.16199"
                           yFract="0.7300936"
                           z3="8.47608"
                           zFract="0.38146175"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.3418"
                           xFract="0.98836493"
                           y3="-0.01107"
                           yFract="-0.00131161"
                           z3="10.1326"
                           zFract="0.4560126"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32684"
                           xFract="0.74962559"
                           y3="4.20848"
                           yFract="0.49863507"
                           z3="4.22378"
                           zFract="0.19008911"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01128"
                           xFract="0.00133649"
                           y3="0.02573"
                           yFract="0.00304858"
                           z3="6.27443"
                           zFract="0.28237759"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33805"
                           xFract="0.75095379"
                           y3="4.20058"
                           yFract="0.49769905"
                           z3="8.50805"
                           zFract="0.38290054"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11078"
                           xFract="0.25009242"
                           y3="4.21663"
                           yFract="0.49960071"
                           z3="4.22895"
                           zFract="0.19032178"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25817"
                           xFract="0.50452251"
                           y3="6.31519"
                           yFract="0.74824526"
                           z3="8.48998"
                           zFract="0.38208731"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1367"
                           xFract="0.25316351"
                           y3="8.43761"
                           yFract="0.99971682"
                           z3="4.20604"
                           zFract="0.18929073"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25955"
                           xFract="0.50468602"
                           y3="2.12773"
                           yFract="0.25210071"
                           z3="8.55672"
                           zFract="0.38509091"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08862"
                           xFract="0.24746682"
                           y3="2.11666"
                           yFract="0.2507891"
                           z3="6.4238"
                           zFract="0.28909991"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22671"
                           xFract="0.50079502"
                           y3="6.31277"
                           yFract="0.74795853"
                           z3="4.24624"
                           zFract="0.19109991"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42526"
                           xFract="0.99825355"
                           y3="4.22172"
                           yFract="0.50020379"
                           z3="6.40148"
                           zFract="0.28809541"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08958"
                           xFract="0.24758057"
                           y3="4.21157"
                           yFract="0.49900118"
                           z3="8.65257"
                           zFract="0.38940459"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00309"
                           xFract="0.00036611"
                           y3="6.24756"
                           yFract="0.74023223"
                           z3="8.72462"
                           zFract="0.39264716"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34914"
                           xFract="0.75226777"
                           y3="6.31695"
                           yFract="0.74845379"
                           z3="6.40045"
                           zFract="0.28804905"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37537"
                           xFract="0.75537559"
                           y3="2.11879"
                           yFract="0.25104147"
                           z3="6.45704"
                           zFract="0.29059586"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23061"
                           xFract="0.50125711"
                           y3="-0.00367"
                           yFract="-0.00043483"
                           z3="6.39909"
                           zFract="0.28798785"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0225"
                           xFract="0.00266588"
                           y3="2.20411"
                           yFract="0.26115047"
                           z3="8.72962"
                           zFract="0.39287219"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00033"
                           xFract="0.0000391"
                           y3="2.14513"
                           yFract="0.25416232"
                           z3="4.24039"
                           zFract="0.19083663"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06491"
                           xFract="0.24465758"
                           y3="6.29319"
                           yFract="0.74563863"
                           z3="6.44477"
                           zFract="0.29004365"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00812"
                           xFract="0.00096209"
                           y3="6.29974"
                           yFract="0.74641469"
                           z3="4.21072"
                           zFract="0.18950135"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23608"
                           xFract="0.50190521"
                           y3="2.11077"
                           yFract="0.25009123"
                           z3="4.28257"
                           zFract="0.19273492"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30334"
                           xFract="0.74684123"
                           y3="0.05992"
                           yFract="0.00709953"
                           z3="8.52964"
                           zFract="0.38387219"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23314"
                           xFract="0.26459005"
                           y3="-0.00003"
                           yFract="-0.00000355"
                           z3="8.51412"
                           zFract="0.38317372"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20099"
                           xFract="0.49774763"
                           y3="4.20222"
                           yFract="0.49789336"
                           z3="6.40833"
                           zFract="0.28840369"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3149"
                           xFract="0.7482109"
                           y3="0.00926"
                           yFract="0.00109716"
                           z3="4.24087"
                           zFract="0.19085824"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03158"
                           xFract="0.00374171"
                           y3="2.00982"
                           yFract="0.23813033"
                           z3="6.33084"
                           zFract="0.28491629"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99369"
                           xFract="0.23621919"
                           y3="0.00942"
                           yFract="0.00111611"
                           z3="6.35496"
                           zFract="0.2860018"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01795"
                           xFract="0.00212678"
                           y3="0.00583"
                           yFract="0.00069076"
                           z3="4.18504"
                           zFract="0.18834563"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29285"
                           xFract="0.98256517"
                           y3="8.36049"
                           yFract="0.99057938"
                           z3="9.16146"
                           zFract="0.41230693"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14069"
                           xFract="0.25363626"
                           y3="2.09784"
                           yFract="0.24855924"
                           z3="4.25943"
                           zFract="0.19169352"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12132"
                           xFract="0.25134123"
                           y3="2.05468"
                           yFract="0.2434455"
                           z3="8.5632"
                           zFract="0.38538254"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19793"
                           xFract="0.49738507"
                           y3="2.00973"
                           yFract="0.23811967"
                           z3="6.46977"
                           zFract="0.29116877"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51056"
                           xFract="0.77139336"
                           y3="0.09382"
                           yFract="0.01111611"
                           z3="6.43712"
                           zFract="0.28969937"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21851"
                           xFract="0.49982346"
                           y3="8.40047"
                           yFract="0.99531635"
                           z3="4.15389"
                           zFract="0.18694374"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3257"
                           xFract="0.5125237"
                           y3="8.43018"
                           yFract="0.99883649"
                           z3="8.79212"
                           zFract="0.39568497"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31592"
                           xFract="0.74833175"
                           y3="2.17637"
                           yFract="0.25786374"
                           z3="4.13991"
                           zFract="0.18631458"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36695"
                           xFract="0.75437796"
                           y3="2.25945"
                           yFract="0.26770735"
                           z3="8.74541"
                           zFract="0.39358281"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41337"
                           xFract="0.99684479"
                           y3="6.47525"
                           yFract="0.76720972"
                           z3="6.29931"
                           zFract="0.2834973"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08357"
                           xFract="0.24686848"
                           y3="4.20214"
                           yFract="0.49788389"
                           z3="6.28919"
                           zFract="0.28304185"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00124"
                           xFract="0.00014692"
                           y3="4.22186"
                           yFract="0.50022038"
                           z3="4.32783"
                           zFract="0.19477183"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36335"
                           xFract="0.99091825"
                           y3="4.24877"
                           yFract="0.50340877"
                           z3="8.47059"
                           zFract="0.38121467"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15688"
                           xFract="0.2555545"
                           y3="6.32915"
                           yFract="0.74989929"
                           z3="4.19221"
                           zFract="0.18866832"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13829"
                           xFract="0.2533519"
                           y3="6.37799"
                           yFract="0.75568602"
                           z3="8.58085"
                           zFract="0.38617687"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23804"
                           xFract="0.50213744"
                           y3="6.41493"
                           yFract="0.7600628"
                           z3="6.39082"
                           zFract="0.28761566"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33201"
                           xFract="0.75023815"
                           y3="4.11951"
                           yFract="0.4880936"
                           z3="6.28585"
                           zFract="0.28289154"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21316"
                           xFract="0.49918957"
                           y3="4.24034"
                           yFract="0.50240995"
                           z3="4.24193"
                           zFract="0.19090594"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29243"
                           xFract="0.50858175"
                           y3="4.21834"
                           yFract="0.49980332"
                           z3="8.52855"
                           zFract="0.38382313"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2940"
                           xFract="0.7457346"
                           y3="6.25333"
                           yFract="0.74091588"
                           z3="4.27962"
                           zFract="0.19260216"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35086"
                           xFract="0.75247156"
                           y3="6.16132"
                           yFract="0.73001422"
                           z3="8.47932"
                           zFract="0.38160756"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.34357"
                           xFract="0.98857464"
                           y3="-0.00999"
                           yFract="-0.00118365"
                           z3="10.13028"
                           zFract="0.45590819"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32689"
                           xFract="0.74963152"
                           y3="4.20853"
                           yFract="0.498641"
                           z3="4.2237"
                           zFract="0.19008551"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01293"
                           xFract="0.00153199"
                           y3="0.02553"
                           yFract="0.00302488"
                           z3="6.27354"
                           zFract="0.28233753"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33731"
                           xFract="0.75086611"
                           y3="4.20051"
                           yFract="0.49769076"
                           z3="8.50748"
                           zFract="0.38287489"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11053"
                           xFract="0.2500628"
                           y3="4.21648"
                           yFract="0.49958294"
                           z3="4.22879"
                           zFract="0.19031458"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25811"
                           xFract="0.5045154"
                           y3="6.31518"
                           yFract="0.74824408"
                           z3="8.4897"
                           zFract="0.38207471"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13674"
                           xFract="0.25316825"
                           y3="8.43765"
                           yFract="0.99972156"
                           z3="4.20598"
                           zFract="0.18928803"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25934"
                           xFract="0.50466114"
                           y3="2.12775"
                           yFract="0.25210308"
                           z3="8.55661"
                           zFract="0.38508596"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08851"
                           xFract="0.24745379"
                           y3="2.11647"
                           yFract="0.25076659"
                           z3="6.42329"
                           zFract="0.28907696"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22654"
                           xFract="0.50077488"
                           y3="6.31312"
                           yFract="0.7480"
                           z3="4.24601"
                           zFract="0.19108956"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42507"
                           xFract="0.99823104"
                           y3="4.22159"
                           yFract="0.50018839"
                           z3="6.4011"
                           zFract="0.28807831"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08932"
                           xFract="0.24754976"
                           y3="4.21146"
                           yFract="0.49898815"
                           z3="8.65239"
                           zFract="0.38939649"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00288"
                           xFract="0.00034123"
                           y3="6.24788"
                           yFract="0.74027014"
                           z3="8.72349"
                           zFract="0.39259631"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34888"
                           xFract="0.75223697"
                           y3="6.3168"
                           yFract="0.74843602"
                           z3="6.39974"
                           zFract="0.2880171"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37502"
                           xFract="0.75533412"
                           y3="2.11906"
                           yFract="0.25107346"
                           z3="6.45624"
                           zFract="0.29055986"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23062"
                           xFract="0.50125829"
                           y3="-0.00355"
                           yFract="-0.00042062"
                           z3="6.39805"
                           zFract="0.28794104"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0222"
                           xFract="0.00263033"
                           y3="2.20385"
                           yFract="0.26111967"
                           z3="8.72835"
                           zFract="0.39281503"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00053"
                           xFract="0.0000628"
                           y3="2.14509"
                           yFract="0.25415758"
                           z3="4.24008"
                           zFract="0.19082268"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06489"
                           xFract="0.24465521"
                           y3="6.29329"
                           yFract="0.74565047"
                           z3="6.44402"
                           zFract="0.2900099"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00834"
                           xFract="0.00098815"
                           y3="6.2997"
                           yFract="0.74640995"
                           z3="4.2103"
                           zFract="0.18948245"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23598"
                           xFract="0.50189336"
                           y3="2.11075"
                           yFract="0.25008886"
                           z3="4.28229"
                           zFract="0.19272232"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30387"
                           xFract="0.74690403"
                           y3="0.05997"
                           yFract="0.00710545"
                           z3="8.52886"
                           zFract="0.38383708"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23345"
                           xFract="0.26462678"
                           y3="-0.00007"
                           yFract="-0.00000829"
                           z3="8.51254"
                           zFract="0.38310261"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20083"
                           xFract="0.49772867"
                           y3="4.20226"
                           yFract="0.4978981"
                           z3="6.4088"
                           zFract="0.28842484"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31498"
                           xFract="0.74822038"
                           y3="0.00913"
                           yFract="0.00108175"
                           z3="4.24017"
                           zFract="0.19082673"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03122"
                           xFract="0.00369905"
                           y3="2.0100"
                           yFract="0.23815166"
                           z3="6.33046"
                           zFract="0.28489919"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9933"
                           xFract="0.23617299"
                           y3="0.00959"
                           yFract="0.00113626"
                           z3="6.35428"
                           zFract="0.2859712"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01783"
                           xFract="0.00211256"
                           y3="0.00584"
                           yFract="0.00069194"
                           z3="4.18501"
                           zFract="0.18834428"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2934"
                           xFract="0.98263033"
                           y3="8.36069"
                           yFract="0.99060308"
                           z3="9.15706"
                           zFract="0.41210891"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14086"
                           xFract="0.2536564"
                           y3="2.09799"
                           yFract="0.24857701"
                           z3="4.2591"
                           zFract="0.19167867"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12126"
                           xFract="0.25133412"
                           y3="2.05483"
                           yFract="0.24346327"
                           z3="8.56235"
                           zFract="0.38534428"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19799"
                           xFract="0.49739218"
                           y3="2.00949"
                           yFract="0.23809123"
                           z3="6.46983"
                           zFract="0.29117147"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50977"
                           xFract="0.77129976"
                           y3="0.09358"
                           yFract="0.01108768"
                           z3="6.43626"
                           zFract="0.28966067"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21884"
                           xFract="0.49986256"
                           y3="8.40046"
                           yFract="0.99531517"
                           z3="4.15351"
                           zFract="0.18692664"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32568"
                           xFract="0.51252133"
                           y3="8.43024"
                           yFract="0.9988436"
                           z3="8.79344"
                           zFract="0.39574437"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31579"
                           xFract="0.74831635"
                           y3="2.1763"
                           yFract="0.25785545"
                           z3="4.13972"
                           zFract="0.18630603"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36646"
                           xFract="0.75431991"
                           y3="2.25938"
                           yFract="0.26769905"
                           z3="8.74447"
                           zFract="0.3935405"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41315"
                           xFract="0.99681872"
                           y3="6.47518"
                           yFract="0.76720142"
                           z3="6.29884"
                           zFract="0.28347615"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08354"
                           xFract="0.24686493"
                           y3="4.20202"
                           yFract="0.49786967"
                           z3="6.28851"
                           zFract="0.28301125"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00107"
                           xFract="0.00012678"
                           y3="4.22181"
                           yFract="0.50021445"
                           z3="4.32768"
                           zFract="0.19476508"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36309"
                           xFract="0.99088744"
                           y3="4.24864"
                           yFract="0.50339336"
                           z3="8.47031"
                           zFract="0.38120207"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15692"
                           xFract="0.25555924"
                           y3="6.32895"
                           yFract="0.74987559"
                           z3="4.19197"
                           zFract="0.18865752"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13824"
                           xFract="0.25334597"
                           y3="6.37765"
                           yFract="0.75564573"
                           z3="8.57986"
                           zFract="0.38613231"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23803"
                           xFract="0.50213626"
                           y3="6.41519"
                           yFract="0.7600936"
                           z3="6.3907"
                           zFract="0.28761026"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3317"
                           xFract="0.75020142"
                           y3="4.11941"
                           yFract="0.48808175"
                           z3="6.2854"
                           zFract="0.28287129"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21315"
                           xFract="0.49918839"
                           y3="4.24032"
                           yFract="0.50240758"
                           z3="4.24195"
                           zFract="0.19090684"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29267"
                           xFract="0.50861019"
                           y3="4.2184"
                           yFract="0.49981043"
                           z3="8.52828"
                           zFract="0.38381098"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29379"
                           xFract="0.74570972"
                           y3="6.25341"
                           yFract="0.74092536"
                           z3="4.27912"
                           zFract="0.19257966"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35061"
                           xFract="0.75244194"
                           y3="6.16153"
                           yFract="0.7300391"
                           z3="8.47829"
                           zFract="0.38156121"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.34434"
                           xFract="0.98866588"
                           y3="-0.00952"
                           yFract="-0.00112796"
                           z3="10.12926"
                           zFract="0.45586229"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32691"
                           xFract="0.74963389"
                           y3="4.20856"
                           yFract="0.49864455"
                           z3="4.22366"
                           zFract="0.19008371"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01365"
                           xFract="0.0016173"
                           y3="0.02545"
                           yFract="0.0030154"
                           z3="6.27315"
                           zFract="0.28231998"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33698"
                           xFract="0.75082701"
                           y3="4.20047"
                           yFract="0.49768602"
                           z3="8.50723"
                           zFract="0.38286364"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11042"
                           xFract="0.25004976"
                           y3="4.21641"
                           yFract="0.49957464"
                           z3="4.22872"
                           zFract="0.19031143"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25808"
                           xFract="0.50451185"
                           y3="6.31518"
                           yFract="0.74824408"
                           z3="8.48958"
                           zFract="0.38206931"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13676"
                           xFract="0.25317062"
                           y3="8.43767"
                           yFract="0.99972393"
                           z3="4.20595"
                           zFract="0.18928668"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25925"
                           xFract="0.50465047"
                           y3="2.12776"
                           yFract="0.25210427"
                           z3="8.55656"
                           zFract="0.38508371"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08846"
                           xFract="0.24744787"
                           y3="2.11639"
                           yFract="0.25075711"
                           z3="6.42306"
                           zFract="0.28906661"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22646"
                           xFract="0.5007654"
                           y3="6.31328"
                           yFract="0.74801896"
                           z3="4.24591"
                           zFract="0.19108506"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42499"
                           xFract="0.99822156"
                           y3="4.22153"
                           yFract="0.50018128"
                           z3="6.40093"
                           zFract="0.28807066"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08921"
                           xFract="0.24753673"
                           y3="4.21141"
                           yFract="0.49898223"
                           z3="8.65232"
                           zFract="0.38939334"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00279"
                           xFract="0.00033057"
                           y3="6.24802"
                           yFract="0.74028673"
                           z3="8.7230"
                           zFract="0.39257426"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34877"
                           xFract="0.75222393"
                           y3="6.31673"
                           yFract="0.74842773"
                           z3="6.39943"
                           zFract="0.28800315"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37486"
                           xFract="0.75531517"
                           y3="2.11918"
                           yFract="0.25108768"
                           z3="6.45589"
                           zFract="0.2905441"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23063"
                           xFract="0.50125948"
                           y3="-0.00349"
                           yFract="-0.00041351"
                           z3="6.3976"
                           zFract="0.28792079"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02206"
                           xFract="0.00261374"
                           y3="2.20374"
                           yFract="0.26110664"
                           z3="8.7278"
                           zFract="0.39279028"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00063"
                           xFract="0.00007464"
                           y3="2.14508"
                           yFract="0.2541564"
                           z3="4.23995"
                           zFract="0.19081683"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06488"
                           xFract="0.24465403"
                           y3="6.29333"
                           yFract="0.74565521"
                           z3="6.4437"
                           zFract="0.2899955"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00843"
                           xFract="0.00099882"
                           y3="6.29969"
                           yFract="0.74640877"
                           z3="4.21011"
                           zFract="0.1894739"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23593"
                           xFract="0.50188744"
                           y3="2.11074"
                           yFract="0.25008768"
                           z3="4.28216"
                           zFract="0.19271647"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3041"
                           xFract="0.74693128"
                           y3="0.05999"
                           yFract="0.00710782"
                           z3="8.52852"
                           zFract="0.38382178"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23358"
                           xFract="0.26464218"
                           y3="-0.00008"
                           yFract="-0.00000948"
                           z3="8.51185"
                           zFract="0.38307156"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20075"
                           xFract="0.49771919"
                           y3="4.20228"
                           yFract="0.49790047"
                           z3="6.40901"
                           zFract="0.28843429"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31501"
                           xFract="0.74822393"
                           y3="0.00907"
                           yFract="0.00107464"
                           z3="4.23986"
                           zFract="0.19081278"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03106"
                           xFract="0.00368009"
                           y3="2.01008"
                           yFract="0.23816114"
                           z3="6.33029"
                           zFract="0.28489154"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99313"
                           xFract="0.23615284"
                           y3="0.00966"
                           yFract="0.00114455"
                           z3="6.35398"
                           zFract="0.2859577"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01777"
                           xFract="0.00210545"
                           y3="0.00585"
                           yFract="0.00069313"
                           z3="4.18499"
                           zFract="0.18834338"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29364"
                           xFract="0.98265877"
                           y3="8.36078"
                           yFract="0.99061374"
                           z3="9.15514"
                           zFract="0.4120225"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14093"
                           xFract="0.25366469"
                           y3="2.09806"
                           yFract="0.24858531"
                           z3="4.25895"
                           zFract="0.19167192"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12124"
                           xFract="0.25133175"
                           y3="2.0549"
                           yFract="0.24347156"
                           z3="8.56198"
                           zFract="0.38532763"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19801"
                           xFract="0.49739455"
                           y3="2.00939"
                           yFract="0.23807938"
                           z3="6.46985"
                           zFract="0.29117237"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50942"
                           xFract="0.77125829"
                           y3="0.09348"
                           yFract="0.01107583"
                           z3="6.43588"
                           zFract="0.28964356"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21898"
                           xFract="0.49987915"
                           y3="8.40045"
                           yFract="0.99531398"
                           z3="4.15334"
                           zFract="0.18691899"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32567"
                           xFract="0.51252014"
                           y3="8.43027"
                           yFract="0.99884716"
                           z3="8.79402"
                           zFract="0.39577048"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31573"
                           xFract="0.74830924"
                           y3="2.17627"
                           yFract="0.2578519"
                           z3="4.13964"
                           zFract="0.18630243"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36624"
                           xFract="0.75429384"
                           y3="2.25935"
                           yFract="0.2676955"
                           z3="8.74406"
                           zFract="0.39352205"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41306"
                           xFract="0.99680806"
                           y3="6.47515"
                           yFract="0.76719787"
                           z3="6.29864"
                           zFract="0.28346715"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08353"
                           xFract="0.24686374"
                           y3="4.20197"
                           yFract="0.49786374"
                           z3="6.28822"
                           zFract="0.2829982"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00099"
                           xFract="0.0001173"
                           y3="4.22179"
                           yFract="0.50021209"
                           z3="4.32762"
                           zFract="0.19476238"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36298"
                           xFract="0.99087441"
                           y3="4.24858"
                           yFract="0.50338626"
                           z3="8.47019"
                           zFract="0.38119667"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15693"
                           xFract="0.25556043"
                           y3="6.32886"
                           yFract="0.74986493"
                           z3="4.19186"
                           zFract="0.18865257"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13822"
                           xFract="0.2533436"
                           y3="6.3775"
                           yFract="0.75562796"
                           z3="8.57943"
                           zFract="0.38611296"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23802"
                           xFract="0.50213507"
                           y3="6.4153"
                           yFract="0.76010664"
                           z3="6.39065"
                           zFract="0.28760801"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33156"
                           xFract="0.75018483"
                           y3="4.11936"
                           yFract="0.48807583"
                           z3="6.2852"
                           zFract="0.28286229"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21314"
                           xFract="0.4991872"
                           y3="4.24031"
                           yFract="0.5024064"
                           z3="4.24196"
                           zFract="0.19090729"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29278"
                           xFract="0.50862322"
                           y3="4.21842"
                           yFract="0.4998128"
                           z3="8.52817"
                           zFract="0.38380603"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2937"
                           xFract="0.74569905"
                           y3="6.25345"
                           yFract="0.74093009"
                           z3="4.2789"
                           zFract="0.19256976"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3505"
                           xFract="0.75242891"
                           y3="6.16163"
                           yFract="0.73005095"
                           z3="8.47785"
                           zFract="0.3815414"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.34371"
                           xFract="0.98859123"
                           y3="-0.00988"
                           yFract="-0.00117062"
                           z3="10.13012"
                           zFract="0.45590099"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32691"
                           xFract="0.74963389"
                           y3="4.20857"
                           yFract="0.49864573"
                           z3="4.22372"
                           zFract="0.19008641"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01455"
                           xFract="0.00172393"
                           y3="0.02538"
                           yFract="0.00300711"
                           z3="6.2733"
                           zFract="0.28232673"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33717"
                           xFract="0.75084953"
                           y3="4.20047"
                           yFract="0.49768602"
                           z3="8.5074"
                           zFract="0.38287129"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11046"
                           xFract="0.2500545"
                           y3="4.21646"
                           yFract="0.49958057"
                           z3="4.22869"
                           zFract="0.19031008"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25813"
                           xFract="0.50451777"
                           y3="6.31518"
                           yFract="0.74824408"
                           z3="8.4897"
                           zFract="0.38207471"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13653"
                           xFract="0.25314336"
                           y3="8.43766"
                           yFract="0.99972275"
                           z3="4.20623"
                           zFract="0.18929928"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25928"
                           xFract="0.50465403"
                           y3="2.12772"
                           yFract="0.25209953"
                           z3="8.55662"
                           zFract="0.38508641"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08846"
                           xFract="0.24744787"
                           y3="2.11623"
                           yFract="0.25073815"
                           z3="6.42321"
                           zFract="0.28907336"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22647"
                           xFract="0.50076659"
                           y3="6.31318"
                           yFract="0.74800711"
                           z3="4.24595"
                           zFract="0.19108686"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42499"
                           xFract="0.99822156"
                           y3="4.22156"
                           yFract="0.50018483"
                           z3="6.40117"
                           zFract="0.28808146"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08929"
                           xFract="0.24754621"
                           y3="4.21144"
                           yFract="0.49898578"
                           z3="8.65248"
                           zFract="0.38940054"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00276"
                           xFract="0.00032701"
                           y3="6.24793"
                           yFract="0.74027607"
                           z3="8.72333"
                           zFract="0.39258911"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34883"
                           xFract="0.75223104"
                           y3="6.31671"
                           yFract="0.74842536"
                           z3="6.39961"
                           zFract="0.28801125"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37497"
                           xFract="0.7553282"
                           y3="2.11933"
                           yFract="0.25110545"
                           z3="6.45614"
                           zFract="0.29055536"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2305"
                           xFract="0.50124408"
                           y3="-0.00352"
                           yFract="-0.00041706"
                           z3="6.39777"
                           zFract="0.28792844"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02207"
                           xFract="0.00261493"
                           y3="2.20381"
                           yFract="0.26111493"
                           z3="8.72822"
                           zFract="0.39280918"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00062"
                           xFract="0.00007346"
                           y3="2.14496"
                           yFract="0.25414218"
                           z3="4.24013"
                           zFract="0.19082493"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06489"
                           xFract="0.24465521"
                           y3="6.29349"
                           yFract="0.74567417"
                           z3="6.4440"
                           zFract="0.290009"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00841"
                           xFract="0.00099645"
                           y3="6.29978"
                           yFract="0.74641943"
                           z3="4.21031"
                           zFract="0.1894829"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23592"
                           xFract="0.50188626"
                           y3="2.1108"
                           yFract="0.25009479"
                           z3="4.28222"
                           zFract="0.19271917"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30419"
                           xFract="0.74694194"
                           y3="0.05996"
                           yFract="0.00710427"
                           z3="8.52888"
                           zFract="0.38383798"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23338"
                           xFract="0.26461848"
                           y3="-0.00006"
                           yFract="-0.00000711"
                           z3="8.51213"
                           zFract="0.38308416"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20084"
                           xFract="0.49772986"
                           y3="4.20227"
                           yFract="0.49789929"
                           z3="6.40899"
                           zFract="0.28843339"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31509"
                           xFract="0.74823341"
                           y3="0.00909"
                           yFract="0.00107701"
                           z3="4.23984"
                           zFract="0.19081188"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03102"
                           xFract="0.00367536"
                           y3="2.01009"
                           yFract="0.23816232"
                           z3="6.33046"
                           zFract="0.28489919"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99268"
                           xFract="0.23609953"
                           y3="0.00961"
                           yFract="0.00113863"
                           z3="6.35423"
                           zFract="0.28596895"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01768"
                           xFract="0.00209479"
                           y3="0.00587"
                           yFract="0.0006955"
                           z3="4.18501"
                           zFract="0.18834428"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29337"
                           xFract="0.98262678"
                           y3="8.36068"
                           yFract="0.9906019"
                           z3="9.15629"
                           zFract="0.41207426"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14099"
                           xFract="0.2536718"
                           y3="2.09816"
                           yFract="0.24859716"
                           z3="4.25905"
                           zFract="0.19167642"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.1211"
                           xFract="0.25131517"
                           y3="2.05491"
                           yFract="0.24347275"
                           z3="8.56223"
                           zFract="0.38533888"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19817"
                           xFract="0.49741351"
                           y3="2.00952"
                           yFract="0.23809479"
                           z3="6.46992"
                           zFract="0.29117552"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50922"
                           xFract="0.7712346"
                           y3="0.09349"
                           yFract="0.01107701"
                           z3="6.43619"
                           zFract="0.28965752"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21911"
                           xFract="0.49989455"
                           y3="8.40042"
                           yFract="0.99531043"
                           z3="4.15342"
                           zFract="0.18692259"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32596"
                           xFract="0.5125545"
                           y3="8.43026"
                           yFract="0.99884597"
                           z3="8.79373"
                           zFract="0.39575743"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31575"
                           xFract="0.74831161"
                           y3="2.17623"
                           yFract="0.25784716"
                           z3="4.13972"
                           zFract="0.18630603"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36637"
                           xFract="0.75430924"
                           y3="2.25934"
                           yFract="0.26769431"
                           z3="8.74436"
                           zFract="0.39353555"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41297"
                           xFract="0.99679739"
                           y3="6.47528"
                           yFract="0.76721327"
                           z3="6.29884"
                           zFract="0.28347615"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0835"
                           xFract="0.24686019"
                           y3="4.20202"
                           yFract="0.49786967"
                           z3="6.28835"
                           zFract="0.28300405"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00107"
                           xFract="0.00012678"
                           y3="4.2218"
                           yFract="0.50021327"
                           z3="4.32781"
                           zFract="0.19477093"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36311"
                           xFract="0.99088981"
                           y3="4.24859"
                           yFract="0.50338744"
                           z3="8.47033"
                           zFract="0.38120297"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15699"
                           xFract="0.25556754"
                           y3="6.32881"
                           yFract="0.749859"
                           z3="4.1919"
                           zFract="0.18865437"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13808"
                           xFract="0.25332701"
                           y3="6.37755"
                           yFract="0.75563389"
                           z3="8.57975"
                           zFract="0.38612736"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23813"
                           xFract="0.5021481"
                           y3="6.41522"
                           yFract="0.76009716"
                           z3="6.39076"
                           zFract="0.28761296"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33167"
                           xFract="0.75019787"
                           y3="4.11928"
                           yFract="0.48806635"
                           z3="6.2854"
                           zFract="0.28287129"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21314"
                           xFract="0.4991872"
                           y3="4.24025"
                           yFract="0.50239929"
                           z3="4.24199"
                           zFract="0.19090864"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29282"
                           xFract="0.50862796"
                           y3="4.2184"
                           yFract="0.49981043"
                           z3="8.52823"
                           zFract="0.38380873"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29369"
                           xFract="0.74569787"
                           y3="6.25352"
                           yFract="0.74093839"
                           z3="4.27908"
                           zFract="0.19257786"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35056"
                           xFract="0.75243602"
                           y3="6.16164"
                           yFract="0.73005213"
                           z3="8.47813"
                           zFract="0.38155401"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.3418"
                           xFract="0.98836493"
                           y3="-0.01096"
                           yFract="-0.00129858"
                           z3="10.13269"
                           zFract="0.45601665"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3269"
                           xFract="0.7496327"
                           y3="4.20862"
                           yFract="0.49865166"
                           z3="4.22391"
                           zFract="0.19009496"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01726"
                           xFract="0.00204502"
                           y3="0.02516"
                           yFract="0.00298104"
                           z3="6.27375"
                           zFract="0.28234698"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33774"
                           xFract="0.75091706"
                           y3="4.20046"
                           yFract="0.49768483"
                           z3="8.50789"
                           zFract="0.38289334"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11058"
                           xFract="0.25006872"
                           y3="4.21661"
                           yFract="0.49959834"
                           z3="4.22861"
                           zFract="0.19030648"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25829"
                           xFract="0.50453673"
                           y3="6.31517"
                           yFract="0.74824289"
                           z3="8.49008"
                           zFract="0.38209181"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13583"
                           xFract="0.25306043"
                           y3="8.43765"
                           yFract="0.99972156"
                           z3="4.20705"
                           zFract="0.18933618"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25938"
                           xFract="0.50466588"
                           y3="2.12762"
                           yFract="0.25208768"
                           z3="8.5568"
                           zFract="0.38509451"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08847"
                           xFract="0.24744905"
                           y3="2.11575"
                           yFract="0.25068128"
                           z3="6.42366"
                           zFract="0.28909361"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22649"
                           xFract="0.50076896"
                           y3="6.31287"
                           yFract="0.74797038"
                           z3="4.24607"
                           zFract="0.19109226"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42499"
                           xFract="0.99822156"
                           y3="4.22166"
                           yFract="0.50019668"
                           z3="6.40189"
                           zFract="0.28811386"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.08952"
                           xFract="0.24757346"
                           y3="4.21155"
                           yFract="0.49899882"
                           z3="8.65296"
                           zFract="0.38942214"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00265"
                           xFract="0.00031398"
                           y3="6.24766"
                           yFract="0.74024408"
                           z3="8.72433"
                           zFract="0.39263411"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34902"
                           xFract="0.75225355"
                           y3="6.31665"
                           yFract="0.74841825"
                           z3="6.40017"
                           zFract="0.28803645"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37528"
                           xFract="0.75536493"
                           y3="2.1198"
                           yFract="0.25116114"
                           z3="6.45688"
                           zFract="0.29058866"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23012"
                           xFract="0.50119905"
                           y3="-0.00361"
                           yFract="-0.00042773"
                           z3="6.39827"
                           zFract="0.28795095"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02208"
                           xFract="0.00261611"
                           y3="2.20402"
                           yFract="0.26113981"
                           z3="8.72947"
                           zFract="0.39286544"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00059"
                           xFract="0.00006991"
                           y3="2.14462"
                           yFract="0.2541019"
                           z3="4.24067"
                           zFract="0.19084923"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06493"
                           xFract="0.24465995"
                           y3="6.29396"
                           yFract="0.74572986"
                           z3="6.44493"
                           zFract="0.29005086"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00833"
                           xFract="0.00098697"
                           y3="6.30005"
                           yFract="0.74645142"
                           z3="4.21091"
                           zFract="0.1895099"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23589"
                           xFract="0.5018827"
                           y3="2.11097"
                           yFract="0.25011493"
                           z3="4.28241"
                           zFract="0.19272772"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30446"
                           xFract="0.74697393"
                           y3="0.05988"
                           yFract="0.00709479"
                           z3="8.52996"
                           zFract="0.38388659"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23278"
                           xFract="0.26454739"
                           y3="0.00002"
                           yFract="0.00000237"
                           z3="8.51297"
                           zFract="0.38312196"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.2011"
                           xFract="0.49776066"
                           y3="4.20223"
                           yFract="0.49789455"
                           z3="6.40891"
                           zFract="0.28842979"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31532"
                           xFract="0.74826066"
                           y3="0.00915"
                           yFract="0.00108412"
                           z3="4.23977"
                           zFract="0.19080873"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03089"
                           xFract="0.00365995"
                           y3="2.01013"
                           yFract="0.23816706"
                           z3="6.33099"
                           zFract="0.28492304"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.99134"
                           xFract="0.23594076"
                           y3="0.00947"
                           yFract="0.00112204"
                           z3="6.3550"
                           zFract="0.2860036"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01741"
                           xFract="0.0020628"
                           y3="0.00591"
                           yFract="0.00070024"
                           z3="4.18504"
                           zFract="0.18834563"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29255"
                           xFract="0.98252962"
                           y3="8.36035"
                           yFract="0.9905628"
                           z3="9.15976"
                           zFract="0.41223042"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14117"
                           xFract="0.25369313"
                           y3="2.09844"
                           yFract="0.24863033"
                           z3="4.25934"
                           zFract="0.19168947"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.12067"
                           xFract="0.25126422"
                           y3="2.05495"
                           yFract="0.24347749"
                           z3="8.5630"
                           zFract="0.38537354"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19864"
                           xFract="0.49746919"
                           y3="2.0099"
                           yFract="0.23813981"
                           z3="6.47013"
                           zFract="0.29118497"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50861"
                           xFract="0.77116232"
                           y3="0.09353"
                           yFract="0.01108175"
                           z3="6.43713"
                           zFract="0.28969982"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2195"
                           xFract="0.49994076"
                           y3="8.40032"
                           yFract="0.99529858"
                           z3="4.15366"
                           zFract="0.18693339"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32682"
                           xFract="0.5126564"
                           y3="8.43023"
                           yFract="0.99884242"
                           z3="8.79284"
                           zFract="0.39571737"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3158"
                           xFract="0.74831754"
                           y3="2.17612"
                           yFract="0.25783412"
                           z3="4.13996"
                           zFract="0.18631683"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36677"
                           xFract="0.75435664"
                           y3="2.25933"
                           yFract="0.26769313"
                           z3="8.74524"
                           zFract="0.39357516"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4127"
                           xFract="0.9967654"
                           y3="6.47569"
                           yFract="0.76726185"
                           z3="6.29945"
                           zFract="0.2835036"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08343"
                           xFract="0.2468519"
                           y3="4.20215"
                           yFract="0.49788507"
                           z3="6.28873"
                           zFract="0.28302115"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00131"
                           xFract="0.00015521"
                           y3="4.22182"
                           yFract="0.50021564"
                           z3="4.32839"
                           zFract="0.19479703"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36352"
                           xFract="0.99093839"
                           y3="4.2486"
                           yFract="0.50338863"
                           z3="8.47074"
                           zFract="0.38122142"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15718"
                           xFract="0.25559005"
                           y3="6.32866"
                           yFract="0.74984123"
                           z3="4.19203"
                           zFract="0.18866022"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13766"
                           xFract="0.25327725"
                           y3="6.37771"
                           yFract="0.75565284"
                           z3="8.58071"
                           zFract="0.38617057"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23847"
                           xFract="0.50218839"
                           y3="6.41497"
                           yFract="0.76006754"
                           z3="6.39108"
                           zFract="0.28762736"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33198"
                           xFract="0.7502346"
                           y3="4.11903"
                           yFract="0.48803673"
                           z3="6.2860"
                           zFract="0.28289829"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21314"
                           xFract="0.4991872"
                           y3="4.24007"
                           yFract="0.50237796"
                           z3="4.24205"
                           zFract="0.19091134"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29294"
                           xFract="0.50864218"
                           y3="4.21835"
                           yFract="0.4998045"
                           z3="8.52843"
                           zFract="0.38381773"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29366"
                           xFract="0.74569431"
                           y3="6.25373"
                           yFract="0.74096327"
                           z3="4.27963"
                           zFract="0.19260261"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35073"
                           xFract="0.75245616"
                           y3="6.16168"
                           yFract="0.73005687"
                           z3="8.47898"
                           zFract="0.38159226"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.33799"
                           xFract="0.98791351"
                           y3="-0.01312"
                           yFract="-0.0015545"
                           z3="10.13784"
                           zFract="0.45624842"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32688"
                           xFract="0.74963033"
                           y3="4.20871"
                           yFract="0.49866232"
                           z3="4.22428"
                           zFract="0.19011161"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02268"
                           xFract="0.0026872"
                           y3="0.02473"
                           yFract="0.00293009"
                           z3="6.27465"
                           zFract="0.28238749"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33887"
                           xFract="0.75105095"
                           y3="4.20043"
                           yFract="0.49768128"
                           z3="8.50887"
                           zFract="0.38293744"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11084"
                           xFract="0.25009953"
                           y3="4.21691"
                           yFract="0.49963389"
                           z3="4.22843"
                           zFract="0.19029838"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25861"
                           xFract="0.50457464"
                           y3="6.31515"
                           yFract="0.74824052"
                           z3="8.49084"
                           zFract="0.38212601"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13445"
                           xFract="0.25289692"
                           y3="8.43763"
                           yFract="0.99971919"
                           z3="4.20869"
                           zFract="0.18940999"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25958"
                           xFract="0.50468957"
                           y3="2.12743"
                           yFract="0.25206517"
                           z3="8.55715"
                           zFract="0.38511026"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08849"
                           xFract="0.24745142"
                           y3="2.11477"
                           yFract="0.25056517"
                           z3="6.42456"
                           zFract="0.28913411"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22652"
                           xFract="0.50077251"
                           y3="6.31226"
                           yFract="0.7478981"
                           z3="4.24632"
                           zFract="0.19110351"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42499"
                           xFract="0.99822156"
                           y3="4.22186"
                           yFract="0.50022038"
                           z3="6.40333"
                           zFract="0.28817867"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0900"
                           xFract="0.24763033"
                           y3="4.21177"
                           yFract="0.49902488"
                           z3="8.65393"
                           zFract="0.3894658"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00243"
                           xFract="0.00028791"
                           y3="6.24713"
                           yFract="0.74018128"
                           z3="8.72632"
                           zFract="0.39272367"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34941"
                           xFract="0.75229976"
                           y3="6.31652"
                           yFract="0.74840284"
                           z3="6.40128"
                           zFract="0.28808641"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3759"
                           xFract="0.75543839"
                           y3="2.12073"
                           yFract="0.25127133"
                           z3="6.45838"
                           zFract="0.29065617"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22937"
                           xFract="0.50111019"
                           y3="-0.00377"
                           yFract="-0.00044668"
                           z3="6.39929"
                           zFract="0.28799685"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02211"
                           xFract="0.00261967"
                           y3="2.20443"
                           yFract="0.26118839"
                           z3="8.73197"
                           zFract="0.39297795"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00054"
                           xFract="0.00006398"
                           y3="2.14393"
                           yFract="0.25402014"
                           z3="4.24176"
                           zFract="0.19089829"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0650"
                           xFract="0.24466825"
                           y3="6.2949"
                           yFract="0.74584123"
                           z3="6.44678"
                           zFract="0.29013411"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00818"
                           xFract="0.00096919"
                           y3="6.30059"
                           yFract="0.7465154"
                           z3="4.21212"
                           zFract="0.18956436"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23582"
                           xFract="0.50187441"
                           y3="2.1113"
                           yFract="0.25015403"
                           z3="4.28278"
                           zFract="0.19274437"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30499"
                           xFract="0.74703673"
                           y3="0.05971"
                           yFract="0.00707464"
                           z3="8.53213"
                           zFract="0.38398425"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23157"
                           xFract="0.26440403"
                           y3="0.00017"
                           yFract="0.00002014"
                           z3="8.51464"
                           zFract="0.38319712"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20161"
                           xFract="0.49782109"
                           y3="4.20217"
                           yFract="0.49788744"
                           z3="6.40877"
                           zFract="0.28842349"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31579"
                           xFract="0.74831635"
                           y3="0.00927"
                           yFract="0.00109834"
                           z3="4.23963"
                           zFract="0.19080243"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03062"
                           xFract="0.00362796"
                           y3="2.0102"
                           yFract="0.23817536"
                           z3="6.33203"
                           zFract="0.28496985"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98866"
                           xFract="0.23562322"
                           y3="0.00917"
                           yFract="0.00108649"
                           z3="6.35654"
                           zFract="0.28607291"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01686"
                           xFract="0.00199763"
                           y3="0.00599"
                           yFract="0.00070972"
                           z3="4.18511"
                           zFract="0.18834878"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.29092"
                           xFract="0.98233649"
                           y3="8.35971"
                           yFract="0.99048697"
                           z3="9.16669"
                           zFract="0.4125423"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14153"
                           xFract="0.25373578"
                           y3="2.09901"
                           yFract="0.24869787"
                           z3="4.25993"
                           zFract="0.19171602"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11982"
                           xFract="0.25116351"
                           y3="2.05502"
                           yFract="0.24348578"
                           z3="8.56453"
                           zFract="0.38544239"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.19959"
                           xFract="0.49758175"
                           y3="2.01066"
                           yFract="0.23822986"
                           z3="6.47056"
                           zFract="0.29120432"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.5074"
                           xFract="0.77101896"
                           y3="0.0936"
                           yFract="0.01109005"
                           z3="6.43902"
                           zFract="0.28978488"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22028"
                           xFract="0.50003318"
                           y3="8.40013"
                           yFract="0.99527607"
                           z3="4.15414"
                           zFract="0.186955"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32855"
                           xFract="0.51286137"
                           y3="8.43019"
                           yFract="0.99883768"
                           z3="8.79106"
                           zFract="0.39563726"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3159"
                           xFract="0.74832938"
                           y3="2.1759"
                           yFract="0.25780806"
                           z3="4.14044"
                           zFract="0.18633843"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36755"
                           xFract="0.75444905"
                           y3="2.25932"
                           yFract="0.26769194"
                           z3="8.74701"
                           zFract="0.39365482"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41216"
                           xFract="0.99670142"
                           y3="6.47649"
                           yFract="0.76735664"
                           z3="6.30068"
                           zFract="0.28355896"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08328"
                           xFract="0.24683412"
                           y3="4.20241"
                           yFract="0.49791588"
                           z3="6.28951"
                           zFract="0.28305626"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00178"
                           xFract="0.0002109"
                           y3="4.22186"
                           yFract="0.50022038"
                           z3="4.32954"
                           zFract="0.19484878"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36432"
                           xFract="0.99103318"
                           y3="4.24863"
                           yFract="0.50339218"
                           z3="8.47157"
                           zFract="0.38125878"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15755"
                           xFract="0.25563389"
                           y3="6.32836"
                           yFract="0.74980569"
                           z3="4.19229"
                           zFract="0.18867192"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13681"
                           xFract="0.25317654"
                           y3="6.37804"
                           yFract="0.75569194"
                           z3="8.58262"
                           zFract="0.38625653"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23915"
                           xFract="0.50226896"
                           y3="6.41448"
                           yFract="0.76000948"
                           z3="6.39173"
                           zFract="0.28765662"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3326"
                           xFract="0.75030806"
                           y3="4.11852"
                           yFract="0.4879763"
                           z3="6.28719"
                           zFract="0.28295185"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21313"
                           xFract="0.49918602"
                           y3="4.23971"
                           yFract="0.50233531"
                           z3="4.24219"
                           zFract="0.19091764"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29319"
                           xFract="0.5086718"
                           y3="4.21823"
                           yFract="0.49979028"
                           z3="8.52881"
                           zFract="0.38383483"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.2936"
                           xFract="0.7456872"
                           y3="6.25416"
                           yFract="0.74101422"
                           z3="4.28073"
                           zFract="0.19265212"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35106"
                           xFract="0.75249526"
                           y3="6.16177"
                           yFract="0.73006754"
                           z3="8.48067"
                           zFract="0.38166832"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.33036"
                           xFract="0.98700948"
                           y3="-0.01745"
                           yFract="-0.00206754"
                           z3="10.14813"
                           zFract="0.45671152"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32685"
                           xFract="0.74962678"
                           y3="4.20889"
                           yFract="0.49868365"
                           z3="4.22502"
                           zFract="0.19014491"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03351"
                           xFract="0.00397038"
                           y3="0.02387"
                           yFract="0.0028282"
                           z3="6.27645"
                           zFract="0.2824685"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34114"
                           xFract="0.75131991"
                           y3="4.20039"
                           yFract="0.49767654"
                           z3="8.51082"
                           zFract="0.3830252"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11135"
                           xFract="0.25015995"
                           y3="4.2175"
                           yFract="0.49970379"
                           z3="4.22808"
                           zFract="0.19028263"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25926"
                           xFract="0.50465166"
                           y3="6.31512"
                           yFract="0.74823697"
                           z3="8.49235"
                           zFract="0.38219397"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13167"
                           xFract="0.25256754"
                           y3="8.4376"
                           yFract="0.99971564"
                           z3="4.21197"
                           zFract="0.18955761"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25997"
                           xFract="0.50473578"
                           y3="2.12703"
                           yFract="0.25201777"
                           z3="8.55785"
                           zFract="0.38514176"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08852"
                           xFract="0.24745498"
                           y3="2.11282"
                           yFract="0.25033412"
                           z3="6.42636"
                           zFract="0.28921512"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2266"
                           xFract="0.50078199"
                           y3="6.31104"
                           yFract="0.74775355"
                           z3="4.24681"
                           zFract="0.19112556"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42498"
                           xFract="0.99822038"
                           y3="4.22226"
                           yFract="0.50026777"
                           z3="6.40621"
                           zFract="0.28830828"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09095"
                           xFract="0.24774289"
                           y3="4.21221"
                           yFract="0.49907701"
                           z3="8.65586"
                           zFract="0.38955266"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00199"
                           xFract="0.00023578"
                           y3="6.24606"
                           yFract="0.7400545"
                           z3="8.7303"
                           zFract="0.39290279"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35017"
                           xFract="0.75238981"
                           y3="6.31627"
                           yFract="0.74837322"
                           z3="6.4035"
                           zFract="0.28818632"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37714"
                           xFract="0.75558531"
                           y3="2.12259"
                           yFract="0.25149171"
                           z3="6.46137"
                           zFract="0.29079073"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22785"
                           xFract="0.50093009"
                           y3="-0.00411"
                           yFract="-0.00048697"
                           z3="6.40132"
                           zFract="0.28808821"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02216"
                           xFract="0.00262559"
                           y3="2.20526"
                           yFract="0.26128673"
                           z3="8.73696"
                           zFract="0.39320252"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00043"
                           xFract="0.00005095"
                           y3="2.14255"
                           yFract="0.25385664"
                           z3="4.24393"
                           zFract="0.19099595"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06513"
                           xFract="0.24468365"
                           y3="6.29679"
                           yFract="0.74606517"
                           z3="6.45049"
                           zFract="0.29030108"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00789"
                           xFract="0.00093483"
                           y3="6.30168"
                           yFract="0.74664455"
                           z3="4.21454"
                           zFract="0.18967327"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23569"
                           xFract="0.501859"
                           y3="2.11197"
                           yFract="0.25023341"
                           z3="4.28352"
                           zFract="0.19277768"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30604"
                           xFract="0.74716114"
                           y3="0.05936"
                           yFract="0.00703318"
                           z3="8.53645"
                           zFract="0.38417867"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22916"
                           xFract="0.26411848"
                           y3="0.00047"
                           yFract="0.00005569"
                           z3="8.51798"
                           zFract="0.38334743"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20265"
                           xFract="0.49794431"
                           y3="4.20203"
                           yFract="0.49787085"
                           z3="6.40848"
                           zFract="0.28841044"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31673"
                           xFract="0.74842773"
                           y3="0.00951"
                           yFract="0.00112678"
                           z3="4.23934"
                           zFract="0.19078938"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0301"
                           xFract="0.00356635"
                           y3="2.01035"
                           yFract="0.23819313"
                           z3="6.33412"
                           zFract="0.28506391"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98329"
                           xFract="0.23498697"
                           y3="0.00857"
                           yFract="0.0010154"
                           z3="6.35962"
                           zFract="0.28621152"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01576"
                           xFract="0.0018673"
                           y3="0.00615"
                           yFract="0.00072867"
                           z3="4.18524"
                           zFract="0.18835464"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.28764"
                           xFract="0.98194787"
                           y3="8.35842"
                           yFract="0.99033412"
                           z3="9.18055"
                           zFract="0.41316607"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14226"
                           xFract="0.25382227"
                           y3="2.10015"
                           yFract="0.24883294"
                           z3="4.2611"
                           zFract="0.19176868"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11811"
                           xFract="0.2509609"
                           y3="2.05516"
                           yFract="0.24350237"
                           z3="8.5676"
                           zFract="0.38558056"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20148"
                           xFract="0.49780569"
                           y3="2.01219"
                           yFract="0.23841114"
                           z3="6.4714"
                           zFract="0.29124212"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50498"
                           xFract="0.77073223"
                           y3="0.09375"
                           yFract="0.01110782"
                           z3="6.44279"
                           zFract="0.28995455"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22185"
                           xFract="0.50021919"
                           y3="8.39974"
                           yFract="0.99522986"
                           z3="4.15511"
                           zFract="0.18699865"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3320"
                           xFract="0.51327014"
                           y3="8.43009"
                           yFract="0.99882583"
                           z3="8.78751"
                           zFract="0.3954775"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31609"
                           xFract="0.7483519"
                           y3="2.17546"
                           yFract="0.25775592"
                           z3="4.1414"
                           zFract="0.18638164"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36913"
                           xFract="0.75463626"
                           y3="2.25929"
                           yFract="0.26768839"
                           z3="8.75055"
                           zFract="0.39381413"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41108"
                           xFract="0.99657346"
                           y3="6.47809"
                           yFract="0.76754621"
                           z3="6.30314"
                           zFract="0.28366967"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08297"
                           xFract="0.24679739"
                           y3="4.20293"
                           yFract="0.49797749"
                           z3="6.29105"
                           zFract="0.28312556"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00273"
                           xFract="0.00032346"
                           y3="4.22194"
                           yFract="0.50022986"
                           z3="4.33184"
                           zFract="0.1949523"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36593"
                           xFract="0.99122393"
                           y3="4.24868"
                           yFract="0.5033981"
                           z3="8.47321"
                           zFract="0.38133258"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1583"
                           xFract="0.25572275"
                           y3="6.32777"
                           yFract="0.74973578"
                           z3="4.1928"
                           zFract="0.18869487"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1351"
                           xFract="0.25297393"
                           y3="6.37868"
                           yFract="0.75576777"
                           z3="8.58644"
                           zFract="0.38642844"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2405"
                           xFract="0.50242891"
                           y3="6.41349"
                           yFract="0.75989218"
                           z3="6.39302"
                           zFract="0.28771467"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33384"
                           xFract="0.75045498"
                           y3="4.11752"
                           yFract="0.48785782"
                           z3="6.28958"
                           zFract="0.28305941"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21312"
                           xFract="0.49918483"
                           y3="4.23899"
                           yFract="0.50225"
                           z3="4.24246"
                           zFract="0.19092979"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2937"
                           xFract="0.50873223"
                           y3="4.21801"
                           yFract="0.49976422"
                           z3="8.52959"
                           zFract="0.38386994"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29347"
                           xFract="0.7456718"
                           y3="6.25502"
                           yFract="0.74111611"
                           z3="4.28293"
                           zFract="0.19275113"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35174"
                           xFract="0.75257583"
                           y3="6.16194"
                           yFract="0.73008768"
                           z3="8.48406"
                           zFract="0.38182088"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.33549"
                           xFract="0.9876173"
                           y3="-0.01454"
                           yFract="-0.00172275"
                           z3="10.14121"
                           zFract="0.45640009"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32687"
                           xFract="0.74962915"
                           y3="4.20877"
                           yFract="0.49866943"
                           z3="4.22452"
                           zFract="0.19012241"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02623"
                           xFract="0.00310782"
                           y3="0.02445"
                           yFract="0.00289692"
                           z3="6.27524"
                           zFract="0.28241404"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33961"
                           xFract="0.75113863"
                           y3="4.20042"
                           yFract="0.49768009"
                           z3="8.50951"
                           zFract="0.38296625"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11101"
                           xFract="0.25011967"
                           y3="4.2171"
                           yFract="0.4996564"
                           z3="4.22831"
                           zFract="0.19029298"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25882"
                           xFract="0.50459953"
                           y3="6.31514"
                           yFract="0.74823934"
                           z3="8.49133"
                           zFract="0.38214806"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13354"
                           xFract="0.2527891"
                           y3="8.43762"
                           yFract="0.99971801"
                           z3="4.20976"
                           zFract="0.18945815"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.25971"
                           xFract="0.50470498"
                           y3="2.1273"
                           yFract="0.25204976"
                           z3="8.55738"
                           zFract="0.38512061"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.0885"
                           xFract="0.24745261"
                           y3="2.11413"
                           yFract="0.25048934"
                           z3="6.42515"
                           zFract="0.28916067"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22655"
                           xFract="0.50077607"
                           y3="6.31186"
                           yFract="0.74785071"
                           z3="4.24648"
                           zFract="0.19111071"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42498"
                           xFract="0.99822038"
                           y3="4.22199"
                           yFract="0.50023578"
                           z3="6.40427"
                           zFract="0.28822097"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09031"
                           xFract="0.24766706"
                           y3="4.21191"
                           yFract="0.49904147"
                           z3="8.65456"
                           zFract="0.38949415"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00228"
                           xFract="0.00027014"
                           y3="6.24678"
                           yFract="0.74013981"
                           z3="8.72762"
                           zFract="0.39278218"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34966"
                           xFract="0.75232938"
                           y3="6.31644"
                           yFract="0.74839336"
                           z3="6.40201"
                           zFract="0.28811926"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3763"
                           xFract="0.75548578"
                           y3="2.12134"
                           yFract="0.2513436"
                           z3="6.45936"
                           zFract="0.29070027"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22887"
                           xFract="0.50105095"
                           y3="-0.00388"
                           yFract="-0.00045972"
                           z3="6.39995"
                           zFract="0.28802655"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02213"
                           xFract="0.00262204"
                           y3="2.2047"
                           yFract="0.26122038"
                           z3="8.7336"
                           zFract="0.39305131"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0005"
                           xFract="0.00005924"
                           y3="2.14347"
                           yFract="0.25396564"
                           z3="4.24247"
                           zFract="0.19093024"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06504"
                           xFract="0.24467299"
                           y3="6.29552"
                           yFract="0.74591469"
                           z3="6.4480"
                           zFract="0.29018902"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00809"
                           xFract="0.00095853"
                           y3="6.30095"
                           yFract="0.74655806"
                           z3="4.21291"
                           zFract="0.18959991"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23578"
                           xFract="0.50186967"
                           y3="2.11152"
                           yFract="0.25018009"
                           z3="4.28302"
                           zFract="0.19275518"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30533"
                           xFract="0.74707701"
                           y3="0.05959"
                           yFract="0.00706043"
                           z3="8.53354"
                           zFract="0.3840477"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23078"
                           xFract="0.26431043"
                           y3="0.00027"
                           yFract="0.00003199"
                           z3="8.51573"
                           zFract="0.38324617"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20195"
                           xFract="0.49786137"
                           y3="4.20212"
                           yFract="0.49788152"
                           z3="6.40867"
                           zFract="0.28841899"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3161"
                           xFract="0.74835308"
                           y3="0.00935"
                           yFract="0.00110782"
                           z3="4.23953"
                           zFract="0.19079793"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03045"
                           xFract="0.00360782"
                           y3="2.01025"
                           yFract="0.23818128"
                           z3="6.33271"
                           zFract="0.28500045"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9869"
                           xFract="0.23541469"
                           y3="0.00897"
                           yFract="0.0010628"
                           z3="6.35755"
                           zFract="0.28611836"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0165"
                           xFract="0.00195498"
                           y3="0.00604"
                           yFract="0.00071564"
                           z3="4.18515"
                           zFract="0.18835059"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.28984"
                           xFract="0.98220853"
                           y3="8.35929"
                           yFract="0.9904372"
                           z3="9.17123"
                           zFract="0.41274662"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14177"
                           xFract="0.25376422"
                           y3="2.09938"
                           yFract="0.24874171"
                           z3="4.26031"
                           zFract="0.19173312"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11926"
                           xFract="0.25109716"
                           y3="2.05506"
                           yFract="0.24349052"
                           z3="8.56554"
                           zFract="0.38548785"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20021"
                           xFract="0.49765521"
                           y3="2.01117"
                           yFract="0.23829028"
                           z3="6.47083"
                           zFract="0.29121647"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50661"
                           xFract="0.77092536"
                           y3="0.09365"
                           yFract="0.01109597"
                           z3="6.44025"
                           zFract="0.28984023"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2208"
                           xFract="0.50009479"
                           y3="8.4000"
                           yFract="0.99526066"
                           z3="4.15446"
                           zFract="0.1869694"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.32968"
                           xFract="0.51299526"
                           y3="8.43016"
                           yFract="0.99883412"
                           z3="8.7899"
                           zFract="0.39558506"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31596"
                           xFract="0.74833649"
                           y3="2.17575"
                           yFract="0.25779028"
                           z3="4.14075"
                           zFract="0.18635239"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36807"
                           xFract="0.75451066"
                           y3="2.25931"
                           yFract="0.26769076"
                           z3="8.74817"
                           zFract="0.39370702"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41181"
                           xFract="0.99665995"
                           y3="6.47701"
                           yFract="0.76741825"
                           z3="6.30149"
                           zFract="0.28359541"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08318"
                           xFract="0.24682227"
                           y3="4.20258"
                           yFract="0.49793602"
                           z3="6.29001"
                           zFract="0.28307876"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00209"
                           xFract="0.00024763"
                           y3="4.22188"
                           yFract="0.50022275"
                           z3="4.33029"
                           zFract="0.19488254"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36485"
                           xFract="0.99109597"
                           y3="4.24864"
                           yFract="0.50339336"
                           z3="8.47211"
                           zFract="0.38128308"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15779"
                           xFract="0.25566232"
                           y3="6.32817"
                           yFract="0.74978318"
                           z3="4.19246"
                           zFract="0.18867957"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13625"
                           xFract="0.25311019"
                           y3="6.37825"
                           yFract="0.75571682"
                           z3="8.58387"
                           zFract="0.38631278"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23959"
                           xFract="0.50232109"
                           y3="6.41415"
                           yFract="0.75997038"
                           z3="6.39215"
                           zFract="0.28767552"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33301"
                           xFract="0.75035664"
                           y3="4.1182"
                           yFract="0.48793839"
                           z3="6.28798"
                           zFract="0.2829874"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21313"
                           xFract="0.49918602"
                           y3="4.23947"
                           yFract="0.50230687"
                           z3="4.24228"
                           zFract="0.19092169"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29336"
                           xFract="0.50869194"
                           y3="4.21816"
                           yFract="0.49978199"
                           z3="8.52907"
                           zFract="0.38384653"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29356"
                           xFract="0.74568246"
                           y3="6.25444"
                           yFract="0.74104739"
                           z3="4.28145"
                           zFract="0.19268452"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35128"
                           xFract="0.75252133"
                           y3="6.16183"
                           yFract="0.73007464"
                           z3="8.48178"
                           zFract="0.38171827"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.33428"
                           xFract="0.98747393"
                           y3="-0.01516"
                           yFract="-0.00179621"
                           z3="10.14426"
                           zFract="0.45653735"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32697"
                           xFract="0.749641"
                           y3="4.20881"
                           yFract="0.49867417"
                           z3="4.22469"
                           zFract="0.19013006"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02713"
                           xFract="0.00321445"
                           y3="0.0244"
                           yFract="0.002891"
                           z3="6.27564"
                           zFract="0.28243204"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33979"
                           xFract="0.75115995"
                           y3="4.20037"
                           yFract="0.49767417"
                           z3="8.50986"
                           zFract="0.382982"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11098"
                           xFract="0.25011611"
                           y3="4.21717"
                           yFract="0.49966469"
                           z3="4.22834"
                           zFract="0.19029433"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25897"
                           xFract="0.5046173"
                           y3="6.3151"
                           yFract="0.7482346"
                           z3="8.49156"
                           zFract="0.38215842"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13318"
                           xFract="0.25274645"
                           y3="8.4376"
                           yFract="0.99971564"
                           z3="4.21019"
                           zFract="0.1894775"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2598"
                           xFract="0.50471564"
                           y3="2.12726"
                           yFract="0.25204502"
                           z3="8.5575"
                           zFract="0.38512601"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08851"
                           xFract="0.24745379"
                           y3="2.11398"
                           yFract="0.25047156"
                           z3="6.42544"
                           zFract="0.28917372"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22655"
                           xFract="0.50077607"
                           y3="6.31177"
                           yFract="0.74784005"
                           z3="4.24655"
                           zFract="0.19111386"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42504"
                           xFract="0.99822749"
                           y3="4.22203"
                           yFract="0.50024052"
                           z3="6.40471"
                           zFract="0.28824077"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09048"
                           xFract="0.2476872"
                           y3="4.21197"
                           yFract="0.49904858"
                           z3="8.65491"
                           zFract="0.3895099"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00212"
                           xFract="0.00025118"
                           y3="6.24672"
                           yFract="0.7401327"
                           z3="8.72831"
                           zFract="0.39281323"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34974"
                           xFract="0.75233886"
                           y3="6.31648"
                           yFract="0.7483981"
                           z3="6.40234"
                           zFract="0.28813411"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3765"
                           xFract="0.75550948"
                           y3="2.12151"
                           yFract="0.25136374"
                           z3="6.45983"
                           zFract="0.29072142"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22873"
                           xFract="0.50103436"
                           y3="-0.00389"
                           yFract="-0.0004609"
                           z3="6.40013"
                           zFract="0.28803465"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02205"
                           xFract="0.00261256"
                           y3="2.20474"
                           yFract="0.26122512"
                           z3="8.73445"
                           zFract="0.39308956"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00048"
                           xFract="0.00005687"
                           y3="2.1433"
                           yFract="0.2539455"
                           z3="4.24282"
                           zFract="0.19094599"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06512"
                           xFract="0.24468246"
                           y3="6.29566"
                           yFract="0.74593128"
                           z3="6.44861"
                           zFract="0.29021647"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00805"
                           xFract="0.00095379"
                           y3="6.30108"
                           yFract="0.74657346"
                           z3="4.21326"
                           zFract="0.18961566"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23579"
                           xFract="0.50187085"
                           y3="2.11159"
                           yFract="0.25018839"
                           z3="4.28312"
                           zFract="0.19275968"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30591"
                           xFract="0.74714573"
                           y3="0.05954"
                           yFract="0.0070545"
                           z3="8.53418"
                           zFract="0.38407651"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.23036"
                           xFract="0.26426066"
                           y3="0.00033"
                           yFract="0.0000391"
                           z3="8.51629"
                           zFract="0.38327138"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20207"
                           xFract="0.49787559"
                           y3="4.20211"
                           yFract="0.49788033"
                           z3="6.40878"
                           zFract="0.28842394"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31629"
                           xFract="0.74837559"
                           y3="0.00938"
                           yFract="0.00111137"
                           z3="4.23951"
                           zFract="0.19079703"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03044"
                           xFract="0.00360664"
                           y3="2.01018"
                           yFract="0.23817299"
                           z3="6.33308"
                           zFract="0.2850171"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98629"
                           xFract="0.23534242"
                           y3="0.00892"
                           yFract="0.00105687"
                           z3="6.35801"
                           zFract="0.28613906"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01634"
                           xFract="0.00193602"
                           y3="0.00606"
                           yFract="0.00071801"
                           z3="4.18513"
                           zFract="0.18834968"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.28917"
                           xFract="0.98212915"
                           y3="8.35892"
                           yFract="0.99039336"
                           z3="9.1720"
                           zFract="0.41278128"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1419"
                           xFract="0.25377962"
                           y3="2.09951"
                           yFract="0.24875711"
                           z3="4.26054"
                           zFract="0.19174347"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11899"
                           xFract="0.25106517"
                           y3="2.05501"
                           yFract="0.2434846"
                           z3="8.56596"
                           zFract="0.38550675"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20048"
                           xFract="0.4976872"
                           y3="2.01135"
                           yFract="0.23831161"
                           z3="6.47108"
                           zFract="0.29122772"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.5066"
                           xFract="0.77092417"
                           y3="0.0937"
                           yFract="0.0111019"
                           z3="6.44077"
                           zFract="0.28986364"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22098"
                           xFract="0.50011611"
                           y3="8.39995"
                           yFract="0.99525474"
                           z3="4.15463"
                           zFract="0.18697705"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33008"
                           xFract="0.51304265"
                           y3="8.43016"
                           yFract="0.99883412"
                           z3="8.78947"
                           zFract="0.39556571"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31599"
                           xFract="0.74834005"
                           y3="2.17568"
                           yFract="0.25778199"
                           z3="4.14086"
                           zFract="0.18635734"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36829"
                           xFract="0.75453673"
                           y3="2.25935"
                           yFract="0.2676955"
                           z3="8.74874"
                           zFract="0.39373267"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41176"
                           xFract="0.99665403"
                           y3="6.47733"
                           yFract="0.76745616"
                           z3="6.30191"
                           zFract="0.28361431"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08315"
                           xFract="0.24681872"
                           y3="4.20268"
                           yFract="0.49794787"
                           z3="6.29022"
                           zFract="0.28308821"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00222"
                           xFract="0.00026303"
                           y3="4.22191"
                           yFract="0.5002263"
                           z3="4.3307"
                           zFract="0.19490099"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36516"
                           xFract="0.9911327"
                           y3="4.24863"
                           yFract="0.50339218"
                           z3="8.47245"
                           zFract="0.38129838"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15788"
                           xFract="0.25567299"
                           y3="6.3281"
                           yFract="0.74977488"
                           z3="4.19257"
                           zFract="0.18868452"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13597"
                           xFract="0.25307701"
                           y3="6.37842"
                           yFract="0.75573697"
                           z3="8.58446"
                           zFract="0.38633933"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23976"
                           xFract="0.50234123"
                           y3="6.41399"
                           yFract="0.75995142"
                           z3="6.39244"
                           zFract="0.28768857"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3332"
                           xFract="0.75037915"
                           y3="4.11808"
                           yFract="0.48792417"
                           z3="6.28835"
                           zFract="0.28300405"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21315"
                           xFract="0.49918839"
                           y3="4.23936"
                           yFract="0.50229384"
                           z3="4.24233"
                           zFract="0.19092394"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29352"
                           xFract="0.5087109"
                           y3="4.21813"
                           yFract="0.49977844"
                           z3="8.5292"
                           zFract="0.38385239"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29354"
                           xFract="0.74568009"
                           y3="6.25458"
                           yFract="0.74106398"
                           z3="4.28177"
                           zFract="0.19269892"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35138"
                           xFract="0.75253318"
                           y3="6.16183"
                           yFract="0.73007464"
                           z3="8.48229"
                           zFract="0.38174122"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.33154"
                           xFract="0.98714929"
                           y3="-0.01656"
                           yFract="-0.00196209"
                           z3="10.15116"
                           zFract="0.45684788"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32717"
                           xFract="0.74966469"
                           y3="4.20889"
                           yFract="0.49868365"
                           z3="4.22507"
                           zFract="0.19014716"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02917"
                           xFract="0.00345616"
                           y3="0.02428"
                           yFract="0.00287678"
                           z3="6.27655"
                           zFract="0.282473"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34019"
                           xFract="0.75120735"
                           y3="4.20026"
                           yFract="0.49766114"
                           z3="8.51065"
                           zFract="0.38301755"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11091"
                           xFract="0.25010782"
                           y3="4.21733"
                           yFract="0.49968365"
                           z3="4.22841"
                           zFract="0.19029748"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25929"
                           xFract="0.50465521"
                           y3="6.31501"
                           yFract="0.74822393"
                           z3="8.49209"
                           zFract="0.38218227"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13237"
                           xFract="0.25265047"
                           y3="8.43754"
                           yFract="0.99970853"
                           z3="4.21116"
                           zFract="0.18952115"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2600"
                           xFract="0.50473934"
                           y3="2.12717"
                           yFract="0.25203436"
                           z3="8.55778"
                           zFract="0.38513861"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08854"
                           xFract="0.24745735"
                           y3="2.11363"
                           yFract="0.25043009"
                           z3="6.42611"
                           zFract="0.28920387"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22654"
                           xFract="0.50077488"
                           y3="6.31156"
                           yFract="0.74781517"
                           z3="4.24672"
                           zFract="0.19112151"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42517"
                           xFract="0.99824289"
                           y3="4.22212"
                           yFract="0.50025118"
                           z3="6.4057"
                           zFract="0.28828533"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09086"
                           xFract="0.24773223"
                           y3="4.21211"
                           yFract="0.49906517"
                           z3="8.65571"
                           zFract="0.3895459"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00174"
                           xFract="0.00020616"
                           y3="6.2466"
                           yFract="0.74011848"
                           z3="8.72984"
                           zFract="0.39288209"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34991"
                           xFract="0.752359"
                           y3="6.31658"
                           yFract="0.74840995"
                           z3="6.40311"
                           zFract="0.28816877"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37695"
                           xFract="0.7555628"
                           y3="2.12191"
                           yFract="0.25141114"
                           z3="6.46089"
                           zFract="0.29076913"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22843"
                           xFract="0.50099882"
                           y3="-0.00392"
                           yFract="-0.00046445"
                           z3="6.40053"
                           zFract="0.28805266"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02186"
                           xFract="0.00259005"
                           y3="2.20481"
                           yFract="0.26123341"
                           z3="8.73637"
                           zFract="0.39317597"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00043"
                           xFract="0.00005095"
                           y3="2.14291"
                           yFract="0.25389929"
                           z3="4.24363"
                           zFract="0.19098245"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0653"
                           xFract="0.24470379"
                           y3="6.29597"
                           yFract="0.74596801"
                           z3="6.44999"
                           zFract="0.29027858"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00798"
                           xFract="0.0009455"
                           y3="6.30136"
                           yFract="0.74660664"
                           z3="4.21404"
                           zFract="0.18965077"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2358"
                           xFract="0.50187204"
                           y3="2.11173"
                           yFract="0.25020498"
                           z3="4.28333"
                           zFract="0.19276913"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30721"
                           xFract="0.74729976"
                           y3="0.05941"
                           yFract="0.0070391"
                           z3="8.53562"
                           zFract="0.38414131"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22942"
                           xFract="0.26414929"
                           y3="0.00047"
                           yFract="0.00005569"
                           z3="8.51754"
                           zFract="0.38332763"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20233"
                           xFract="0.4979064"
                           y3="4.2021"
                           yFract="0.49787915"
                           z3="6.4090"
                           zFract="0.28843384"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31672"
                           xFract="0.74842654"
                           y3="0.00945"
                           yFract="0.00111967"
                           z3="4.23945"
                           zFract="0.19079433"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0304"
                           xFract="0.0036019"
                           y3="2.01001"
                           yFract="0.23815284"
                           z3="6.3339"
                           zFract="0.28505401"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98492"
                           xFract="0.23518009"
                           y3="0.0088"
                           yFract="0.00104265"
                           z3="6.35904"
                           zFract="0.28618542"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01599"
                           xFract="0.00189455"
                           y3="0.00609"
                           yFract="0.00072156"
                           z3="4.18507"
                           zFract="0.18834698"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.28765"
                           xFract="0.98194905"
                           y3="8.3581"
                           yFract="0.99029621"
                           z3="9.17373"
                           zFract="0.41285914"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14219"
                           xFract="0.25381398"
                           y3="2.0998"
                           yFract="0.24879147"
                           z3="4.26105"
                           zFract="0.19176643"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11838"
                           xFract="0.25099289"
                           y3="2.05487"
                           yFract="0.24346801"
                           z3="8.56693"
                           zFract="0.38555041"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2011"
                           xFract="0.49776066"
                           y3="2.01178"
                           yFract="0.23836256"
                           z3="6.47163"
                           zFract="0.29125248"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50658"
                           xFract="0.7709218"
                           y3="0.0938"
                           yFract="0.01111374"
                           z3="6.44194"
                           zFract="0.28991629"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22139"
                           xFract="0.50016469"
                           y3="8.39983"
                           yFract="0.99524052"
                           z3="4.1550"
                           zFract="0.1869937"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3310"
                           xFract="0.51315166"
                           y3="8.43015"
                           yFract="0.99883294"
                           z3="8.7885"
                           zFract="0.39552205"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31606"
                           xFract="0.74834834"
                           y3="2.1755"
                           yFract="0.25776066"
                           z3="4.14111"
                           zFract="0.18636859"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36878"
                           xFract="0.75459479"
                           y3="2.25945"
                           yFract="0.26770735"
                           z3="8.75004"
                           zFract="0.39379118"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41165"
                           xFract="0.996641"
                           y3="6.47805"
                           yFract="0.76754147"
                           z3="6.30287"
                           zFract="0.28365752"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08309"
                           xFract="0.24681161"
                           y3="4.20291"
                           yFract="0.49797512"
                           z3="6.29067"
                           zFract="0.28310846"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00251"
                           xFract="0.00029739"
                           y3="4.22197"
                           yFract="0.50023341"
                           z3="4.33162"
                           zFract="0.19494239"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36586"
                           xFract="0.99121564"
                           y3="4.24861"
                           yFract="0.50338981"
                           z3="8.47323"
                           zFract="0.38133348"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15806"
                           xFract="0.25569431"
                           y3="6.32792"
                           yFract="0.74975355"
                           z3="4.19284"
                           zFract="0.18869667"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13536"
                           xFract="0.25300474"
                           y3="6.37879"
                           yFract="0.75578081"
                           z3="8.58578"
                           zFract="0.38639874"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24013"
                           xFract="0.50238507"
                           y3="6.41361"
                           yFract="0.7599064"
                           z3="6.39308"
                           zFract="0.28771737"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33362"
                           xFract="0.75042891"
                           y3="4.11783"
                           yFract="0.48789455"
                           z3="6.2892"
                           zFract="0.2830423"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21319"
                           xFract="0.49919313"
                           y3="4.23911"
                           yFract="0.50226422"
                           z3="4.24244"
                           zFract="0.19092889"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2939"
                           xFract="0.50875592"
                           y3="4.21806"
                           yFract="0.49977014"
                           z3="8.52951"
                           zFract="0.38386634"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29351"
                           xFract="0.74567654"
                           y3="6.25488"
                           yFract="0.74109953"
                           z3="4.2825"
                           zFract="0.19273177"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3516"
                           xFract="0.75255924"
                           y3="6.16182"
                           yFract="0.73007346"
                           z3="8.48345"
                           zFract="0.38179343"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.32992"
                           xFract="0.98695735"
                           y3="-0.01743"
                           yFract="-0.00206517"
                           z3="10.15376"
                           zFract="0.4569649"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32741"
                           xFract="0.74969313"
                           y3="4.20893"
                           yFract="0.49868839"
                           z3="4.22533"
                           zFract="0.19015887"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02854"
                           xFract="0.00338152"
                           y3="0.02433"
                           yFract="0.0028827"
                           z3="6.2773"
                           zFract="0.28250675"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34016"
                           xFract="0.75120379"
                           y3="4.20016"
                           yFract="0.49764929"
                           z3="8.51115"
                           zFract="0.38304005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11074"
                           xFract="0.25008768"
                           y3="4.21737"
                           yFract="0.49968839"
                           z3="4.2286"
                           zFract="0.19030603"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.25952"
                           xFract="0.50468246"
                           y3="6.31494"
                           yFract="0.74821564"
                           z3="8.49235"
                           zFract="0.38219397"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13213"
                           xFract="0.25262204"
                           y3="8.43747"
                           yFract="0.99970024"
                           z3="4.21144"
                           zFract="0.18953375"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26017"
                           xFract="0.50475948"
                           y3="2.12714"
                           yFract="0.25203081"
                           z3="8.55794"
                           zFract="0.38514581"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08858"
                           xFract="0.24746209"
                           y3="2.11373"
                           yFract="0.25044194"
                           z3="6.42648"
                           zFract="0.28922052"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22654"
                           xFract="0.50077488"
                           y3="6.31158"
                           yFract="0.74781754"
                           z3="4.24682"
                           zFract="0.19112601"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42536"
                           xFract="0.9982654"
                           y3="4.22212"
                           yFract="0.50025118"
                           z3="6.40618"
                           zFract="0.28830693"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09107"
                           xFract="0.24775711"
                           y3="4.21216"
                           yFract="0.49907109"
                           z3="8.65618"
                           zFract="0.38956706"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.0014"
                           xFract="0.00016588"
                           y3="6.24667"
                           yFract="0.74012678"
                           z3="8.73077"
                           zFract="0.39292394"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34994"
                           xFract="0.75236256"
                           y3="6.3168"
                           yFract="0.74843602"
                           z3="6.4035"
                           zFract="0.28818632"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37718"
                           xFract="0.75559005"
                           y3="2.12186"
                           yFract="0.25140521"
                           z3="6.46146"
                           zFract="0.29079478"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22851"
                           xFract="0.50100829"
                           y3="-0.00388"
                           yFract="-0.00045972"
                           z3="6.40057"
                           zFract="0.28805446"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02166"
                           xFract="0.00256635"
                           y3="2.2047"
                           yFract="0.26122038"
                           z3="8.73751"
                           zFract="0.39322727"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00037"
                           xFract="0.00004384"
                           y3="2.14279"
                           yFract="0.25388507"
                           z3="4.24404"
                           zFract="0.1910009"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06548"
                           xFract="0.24472512"
                           y3="6.29583"
                           yFract="0.74595142"
                           z3="6.45075"
                           zFract="0.29031278"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00794"
                           xFract="0.00094076"
                           y3="6.30143"
                           yFract="0.74661493"
                           z3="4.21438"
                           zFract="0.18966607"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23588"
                           xFract="0.50188152"
                           y3="2.11174"
                           yFract="0.25020616"
                           z3="4.28342"
                           zFract="0.19277318"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.30832"
                           xFract="0.74743128"
                           y3="0.05935"
                           yFract="0.00703199"
                           z3="8.53624"
                           zFract="0.38416922"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22891"
                           xFract="0.26408886"
                           y3="0.00056"
                           yFract="0.00006635"
                           z3="8.5183"
                           zFract="0.38336184"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.2024"
                           xFract="0.49791469"
                           y3="4.20211"
                           yFract="0.49788033"
                           z3="6.4093"
                           zFract="0.28844734"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31699"
                           xFract="0.74845853"
                           y3="0.00948"
                           yFract="0.00112322"
                           z3="4.23951"
                           zFract="0.19079703"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03054"
                           xFract="0.00361848"
                           y3="2.00972"
                           yFract="0.23811848"
                           z3="6.33444"
                           zFract="0.28507831"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98464"
                           xFract="0.23514692"
                           y3="0.00879"
                           yFract="0.00104147"
                           z3="6.35957"
                           zFract="0.28620927"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01583"
                           xFract="0.00187559"
                           y3="0.00609"
                           yFract="0.00072156"
                           z3="4.18494"
                           zFract="0.18834113"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.28684"
                           xFract="0.98185308"
                           y3="8.35764"
                           yFract="0.99024171"
                           z3="9.17597"
                           zFract="0.41295995"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14234"
                           xFract="0.25383175"
                           y3="2.09988"
                           yFract="0.24880095"
                           z3="4.26141"
                           zFract="0.19178263"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11804"
                           xFract="0.25095261"
                           y3="2.05466"
                           yFract="0.24344313"
                           z3="8.56743"
                           zFract="0.38557291"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20138"
                           xFract="0.49779384"
                           y3="2.01196"
                           yFract="0.23838389"
                           z3="6.47209"
                           zFract="0.29127318"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50729"
                           xFract="0.77100592"
                           y3="0.0939"
                           yFract="0.01112559"
                           z3="6.44249"
                           zFract="0.28994104"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22148"
                           xFract="0.50017536"
                           y3="8.39979"
                           yFract="0.99523578"
                           z3="4.15524"
                           zFract="0.1870045"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33129"
                           xFract="0.51318602"
                           y3="8.43017"
                           yFract="0.99883531"
                           z3="8.78806"
                           zFract="0.39550225"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3161"
                           xFract="0.74835308"
                           y3="2.17541"
                           yFract="0.25775"
                           z3="4.14116"
                           zFract="0.18637084"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36902"
                           xFract="0.75462322"
                           y3="2.25963"
                           yFract="0.26772867"
                           z3="8.75083"
                           zFract="0.39382673"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4118"
                           xFract="0.99665877"
                           y3="6.4786"
                           yFract="0.76760664"
                           z3="6.30349"
                           zFract="0.28368542"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08309"
                           xFract="0.24681161"
                           y3="4.20307"
                           yFract="0.49799408"
                           z3="6.29089"
                           zFract="0.28311836"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00264"
                           xFract="0.0003128"
                           y3="4.22202"
                           yFract="0.50023934"
                           z3="4.33213"
                           zFract="0.19496535"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3663"
                           xFract="0.99126777"
                           y3="4.24861"
                           yFract="0.50338981"
                           z3="8.47379"
                           zFract="0.38135869"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15809"
                           xFract="0.25569787"
                           y3="6.32788"
                           yFract="0.74974882"
                           z3="4.19305"
                           zFract="0.18870612"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13501"
                           xFract="0.25296327"
                           y3="6.37912"
                           yFract="0.75581991"
                           z3="8.58652"
                           zFract="0.38643204"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24028"
                           xFract="0.50240284"
                           y3="6.41336"
                           yFract="0.75987678"
                           z3="6.39353"
                           zFract="0.28773762"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33387"
                           xFract="0.75045853"
                           y3="4.1178"
                           yFract="0.487891"
                           z3="6.2897"
                           zFract="0.28306481"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21325"
                           xFract="0.49920024"
                           y3="4.2390"
                           yFract="0.50225118"
                           z3="4.2425"
                           zFract="0.19093159"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29423"
                           xFract="0.50879502"
                           y3="4.21803"
                           yFract="0.49976659"
                           z3="8.52972"
                           zFract="0.38387579"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29352"
                           xFract="0.74567773"
                           y3="6.25504"
                           yFract="0.74111848"
                           z3="4.28291"
                           zFract="0.19275023"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35172"
                           xFract="0.75257346"
                           y3="6.1617"
                           yFract="0.73005924"
                           z3="8.48405"
                           zFract="0.38182043"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a70" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.32506"
                           xFract="0.98638152"
                           y3="-0.02004"
                           yFract="-0.00237441"
                           z3="10.16156"
                           zFract="0.45731593"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3281"
                           xFract="0.74977488"
                           y3="4.20907"
                           yFract="0.49870498"
                           z3="4.22612"
                           zFract="0.19019442"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02666"
                           xFract="0.00315877"
                           y3="0.02448"
                           yFract="0.00290047"
                           z3="6.27953"
                           zFract="0.28260711"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34006"
                           xFract="0.75119194"
                           y3="4.19988"
                           yFract="0.49761611"
                           z3="8.51265"
                           zFract="0.38310756"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11024"
                           xFract="0.25002844"
                           y3="4.21749"
                           yFract="0.49970261"
                           z3="4.22917"
                           zFract="0.19033168"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2602"
                           xFract="0.50476303"
                           y3="6.31473"
                           yFract="0.74819076"
                           z3="8.49313"
                           zFract="0.38222907"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13142"
                           xFract="0.25253791"
                           y3="8.43727"
                           yFract="0.99967654"
                           z3="4.21227"
                           zFract="0.18957111"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26068"
                           xFract="0.50481991"
                           y3="2.12705"
                           yFract="0.25202014"
                           z3="8.55841"
                           zFract="0.38516697"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08872"
                           xFract="0.24747867"
                           y3="2.11406"
                           yFract="0.25048104"
                           z3="6.4276"
                           zFract="0.28927093"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22652"
                           xFract="0.50077251"
                           y3="6.31166"
                           yFract="0.74782701"
                           z3="4.2471"
                           zFract="0.19113861"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42591"
                           xFract="0.99833057"
                           y3="4.22214"
                           yFract="0.50025355"
                           z3="6.40762"
                           zFract="0.28837174"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09172"
                           xFract="0.24783412"
                           y3="4.21231"
                           yFract="0.49908886"
                           z3="8.65762"
                           zFract="0.38963186"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="0.00039"
                           xFract="0.00004621"
                           y3="6.24688"
                           yFract="0.74015166"
                           z3="8.73353"
                           zFract="0.39304815"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35001"
                           xFract="0.75237085"
                           y3="6.31744"
                           yFract="0.74851185"
                           z3="6.40469"
                           zFract="0.28823987"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37787"
                           xFract="0.7556718"
                           y3="2.1217"
                           yFract="0.25138626"
                           z3="6.46317"
                           zFract="0.29087174"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22876"
                           xFract="0.50103791"
                           y3="-0.00377"
                           yFract="-0.00044668"
                           z3="6.40072"
                           zFract="0.28806121"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02103"
                           xFract="0.00249171"
                           y3="2.20437"
                           yFract="0.26118128"
                           z3="8.74092"
                           zFract="0.39338074"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00019"
                           xFract="0.00002251"
                           y3="2.14246"
                           yFract="0.25384597"
                           z3="4.24529"
                           zFract="0.19105716"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06601"
                           xFract="0.24478791"
                           y3="6.29542"
                           yFract="0.74590284"
                           z3="6.45301"
                           zFract="0.29041449"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00785"
                           xFract="0.00093009"
                           y3="6.30164"
                           yFract="0.74663981"
                           z3="4.21539"
                           zFract="0.18971152"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2361"
                           xFract="0.50190758"
                           y3="2.11177"
                           yFract="0.25020972"
                           z3="4.28367"
                           zFract="0.19278443"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31165"
                           xFract="0.74782583"
                           y3="0.05915"
                           yFract="0.00700829"
                           z3="8.53811"
                           zFract="0.38425338"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22737"
                           xFract="0.2639064"
                           y3="0.00082"
                           yFract="0.00009716"
                           z3="8.52059"
                           zFract="0.3834649"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20261"
                           xFract="0.49793957"
                           y3="4.20214"
                           yFract="0.49788389"
                           z3="6.4102"
                           zFract="0.28848785"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3178"
                           xFract="0.7485545"
                           y3="0.00957"
                           yFract="0.00113389"
                           z3="4.2397"
                           zFract="0.19080558"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03095"
                           xFract="0.00366706"
                           y3="2.00883"
                           yFract="0.23801303"
                           z3="6.33605"
                           zFract="0.28515077"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9838"
                           xFract="0.23504739"
                           y3="0.00875"
                           yFract="0.00103673"
                           z3="6.36115"
                           zFract="0.28628038"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01534"
                           xFract="0.00181754"
                           y3="0.00609"
                           yFract="0.00072156"
                           z3="4.18456"
                           zFract="0.18832403"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.28441"
                           xFract="0.98156517"
                           y3="8.35625"
                           yFract="0.99007701"
                           z3="9.18268"
                           zFract="0.41326193"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1428"
                           xFract="0.25388626"
                           y3="2.10011"
                           yFract="0.2488282"
                           z3="4.26248"
                           zFract="0.19183078"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11703"
                           xFract="0.25083294"
                           y3="2.05401"
                           yFract="0.24336611"
                           z3="8.56892"
                           zFract="0.38563996"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20222"
                           xFract="0.49789336"
                           y3="2.0125"
                           yFract="0.23844787"
                           z3="6.47345"
                           zFract="0.29133438"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.50941"
                           xFract="0.77125711"
                           y3="0.0942"
                           yFract="0.01116114"
                           z3="6.44412"
                           zFract="0.2900144"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22174"
                           xFract="0.50020616"
                           y3="8.39965"
                           yFract="0.99521919"
                           z3="4.15597"
                           zFract="0.18703735"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33219"
                           xFract="0.51329265"
                           y3="8.43022"
                           yFract="0.99884123"
                           z3="8.78673"
                           zFract="0.39544239"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31623"
                           xFract="0.74836848"
                           y3="2.17512"
                           yFract="0.25771564"
                           z3="4.14134"
                           zFract="0.18637894"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.36973"
                           xFract="0.75470735"
                           y3="2.26019"
                           yFract="0.26779502"
                           z3="8.7532"
                           zFract="0.39393339"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41225"
                           xFract="0.99671209"
                           y3="6.48025"
                           yFract="0.76780213"
                           z3="6.30533"
                           zFract="0.28376823"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08312"
                           xFract="0.24681517"
                           y3="4.20357"
                           yFract="0.49805332"
                           z3="6.29155"
                           zFract="0.28314806"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00304"
                           xFract="0.00036019"
                           y3="4.22218"
                           yFract="0.50025829"
                           z3="4.33368"
                           zFract="0.1950351"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.36763"
                           xFract="0.99142536"
                           y3="4.24859"
                           yFract="0.50338744"
                           z3="8.47548"
                           zFract="0.38143474"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15819"
                           xFract="0.25570972"
                           y3="6.32773"
                           yFract="0.74973104"
                           z3="4.19369"
                           zFract="0.18873492"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13399"
                           xFract="0.25284242"
                           y3="6.38011"
                           yFract="0.7559372"
                           z3="8.58872"
                           zFract="0.38653105"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24071"
                           xFract="0.50245379"
                           y3="6.41261"
                           yFract="0.75978791"
                           z3="6.3949"
                           zFract="0.28779928"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.3346"
                           xFract="0.75054502"
                           y3="4.11769"
                           yFract="0.48787796"
                           z3="6.29122"
                           zFract="0.28313321"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21342"
                           xFract="0.49922038"
                           y3="4.23867"
                           yFract="0.50221209"
                           z3="4.24269"
                           zFract="0.19094014"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29522"
                           xFract="0.50891232"
                           y3="4.21794"
                           yFract="0.49975592"
                           z3="8.53034"
                           zFract="0.38390369"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29355"
                           xFract="0.74568128"
                           y3="6.25553"
                           yFract="0.74117654"
                           z3="4.28413"
                           zFract="0.19280513"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35209"
                           xFract="0.7526173"
                           y3="6.16134"
                           yFract="0.73001659"
                           z3="8.48585"
                           zFract="0.38190144"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.31533"
                           xFract="0.98522867"
                           y3="-0.02526"
                           yFract="-0.00299289"
                           z3="10.17717"
                           zFract="0.45801845"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32949"
                           xFract="0.74993957"
                           y3="4.20933"
                           yFract="0.49873578"
                           z3="4.22768"
                           zFract="0.19026463"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.0229"
                           xFract="0.00271327"
                           y3="0.02477"
                           yFract="0.00293483"
                           z3="6.2840"
                           zFract="0.28280828"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33988"
                           xFract="0.75117062"
                           y3="4.19932"
                           yFract="0.49754976"
                           z3="8.51566"
                           zFract="0.38324302"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10923"
                           xFract="0.24990877"
                           y3="4.21773"
                           yFract="0.49973104"
                           z3="4.2303"
                           zFract="0.19038254"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26156"
                           xFract="0.50492417"
                           y3="6.3143"
                           yFract="0.74813981"
                           z3="8.49469"
                           zFract="0.38229928"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12999"
                           xFract="0.25236848"
                           y3="8.43686"
                           yFract="0.99962796"
                           z3="4.21395"
                           zFract="0.18964671"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2617"
                           xFract="0.50494076"
                           y3="2.12687"
                           yFract="0.25199882"
                           z3="8.55936"
                           zFract="0.38520972"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08898"
                           xFract="0.24750948"
                           y3="2.1147"
                           yFract="0.25055687"
                           z3="6.42984"
                           zFract="0.28937174"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2265"
                           xFract="0.50077014"
                           y3="6.3118"
                           yFract="0.7478436"
                           z3="4.24766"
                           zFract="0.19116382"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42702"
                           xFract="0.99846209"
                           y3="4.22217"
                           yFract="0.50025711"
                           z3="6.41051"
                           zFract="0.2885018"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09301"
                           xFract="0.24798697"
                           y3="4.21261"
                           yFract="0.49912441"
                           z3="8.6605"
                           zFract="0.38976148"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00164"
                           xFract="-0.00019431"
                           y3="6.24731"
                           yFract="0.74020261"
                           z3="8.73905"
                           zFract="0.39329658"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35016"
                           xFract="0.75238863"
                           y3="6.31874"
                           yFract="0.74866588"
                           z3="6.40707"
                           zFract="0.28834698"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37926"
                           xFract="0.75583649"
                           y3="2.12137"
                           yFract="0.25134716"
                           z3="6.46659"
                           zFract="0.29102565"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22926"
                           xFract="0.50109716"
                           y3="-0.00354"
                           yFract="-0.00041943"
                           z3="6.4010"
                           zFract="0.28807381"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01979"
                           xFract="0.00234479"
                           y3="2.20371"
                           yFract="0.26110308"
                           z3="8.74775"
                           zFract="0.39368812"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00017"
                           xFract="-0.00002014"
                           y3="2.1418"
                           yFract="0.25376777"
                           z3="4.24779"
                           zFract="0.19116967"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06707"
                           xFract="0.24491351"
                           y3="6.29459"
                           yFract="0.7458045"
                           z3="6.45754"
                           zFract="0.29061836"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00767"
                           xFract="0.00090877"
                           y3="6.30205"
                           yFract="0.74668839"
                           z3="4.21741"
                           zFract="0.18980243"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23653"
                           xFract="0.50195853"
                           y3="2.11184"
                           yFract="0.25021801"
                           z3="4.28417"
                           zFract="0.19280693"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31831"
                           xFract="0.74861493"
                           y3="0.05877"
                           yFract="0.00696327"
                           z3="8.54183"
                           zFract="0.38442079"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22428"
                           xFract="0.26354028"
                           y3="0.00136"
                           yFract="0.00016114"
                           z3="8.52515"
                           zFract="0.38367012"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20302"
                           xFract="0.49798815"
                           y3="4.20221"
                           yFract="0.49789218"
                           z3="6.4120"
                           zFract="0.28856886"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31941"
                           xFract="0.74874526"
                           y3="0.00975"
                           yFract="0.00115521"
                           z3="4.24009"
                           zFract="0.19082313"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03176"
                           xFract="0.00376303"
                           y3="2.00706"
                           yFract="0.23780332"
                           z3="6.33927"
                           zFract="0.28529568"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98213"
                           xFract="0.23484953"
                           y3="0.00866"
                           yFract="0.00102607"
                           z3="6.36431"
                           zFract="0.28642259"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01437"
                           xFract="0.00170261"
                           y3="0.00608"
                           yFract="0.00072038"
                           z3="4.18379"
                           zFract="0.18828938"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27954"
                           xFract="0.98098815"
                           y3="8.35348"
                           yFract="0.98974882"
                           z3="9.19611"
                           zFract="0.41386634"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.1437"
                           xFract="0.25399289"
                           y3="2.10056"
                           yFract="0.24888152"
                           z3="4.26463"
                           zFract="0.19192754"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11501"
                           xFract="0.2505936"
                           y3="2.05271"
                           yFract="0.24321209"
                           z3="8.57191"
                           zFract="0.38577453"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2039"
                           xFract="0.49809242"
                           y3="2.01357"
                           yFract="0.23857464"
                           z3="6.47617"
                           zFract="0.2914568"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51364"
                           xFract="0.77175829"
                           y3="0.09481"
                           yFract="0.01123341"
                           z3="6.4474"
                           zFract="0.29016202"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22227"
                           xFract="0.50026896"
                           y3="8.39939"
                           yFract="0.99518839"
                           z3="4.15742"
                           zFract="0.18710261"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33397"
                           xFract="0.51350355"
                           y3="8.43031"
                           yFract="0.9988519"
                           z3="8.78407"
                           zFract="0.39532268"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31648"
                           xFract="0.7483981"
                           y3="2.17456"
                           yFract="0.25764929"
                           z3="4.14168"
                           zFract="0.18639424"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37115"
                           xFract="0.75487559"
                           y3="2.26129"
                           yFract="0.26792536"
                           z3="8.75793"
                           zFract="0.39414626"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41316"
                           xFract="0.99681991"
                           y3="6.48355"
                           yFract="0.76819313"
                           z3="6.30902"
                           zFract="0.28393429"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08316"
                           xFract="0.24681991"
                           y3="4.20456"
                           yFract="0.49817062"
                           z3="6.29287"
                           zFract="0.28320747"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00384"
                           xFract="0.00045498"
                           y3="4.22249"
                           yFract="0.50029502"
                           z3="4.33677"
                           zFract="0.19517417"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37028"
                           xFract="0.99173934"
                           y3="4.24857"
                           yFract="0.50338507"
                           z3="8.47885"
                           zFract="0.38158641"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1584"
                           xFract="0.2557346"
                           y3="6.32744"
                           yFract="0.74969668"
                           z3="4.19497"
                           zFract="0.18879253"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13194"
                           xFract="0.25259953"
                           y3="6.38207"
                           yFract="0.75616943"
                           z3="8.59312"
                           zFract="0.38672907"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24158"
                           xFract="0.50255687"
                           y3="6.41112"
                           yFract="0.75961137"
                           z3="6.39763"
                           zFract="0.28792214"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33608"
                           xFract="0.75072038"
                           y3="4.11748"
                           yFract="0.48785308"
                           z3="6.29426"
                           zFract="0.28327003"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21377"
                           xFract="0.49926185"
                           y3="4.2380"
                           yFract="0.5021327"
                           z3="4.24308"
                           zFract="0.1909577"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2972"
                           xFract="0.50914692"
                           y3="4.21775"
                           yFract="0.49973341"
                           z3="8.53158"
                           zFract="0.3839595"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29361"
                           xFract="0.74568839"
                           y3="6.25652"
                           yFract="0.74129384"
                           z3="4.28658"
                           zFract="0.19291539"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35283"
                           xFract="0.75270498"
                           y3="6.16062"
                           yFract="0.72993128"
                           z3="8.48945"
                           zFract="0.38206346"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.31152"
                           xFract="0.98477725"
                           y3="-0.02749"
                           yFract="-0.00325711"
                           z3="10.17781"
                           zFract="0.45804725"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32998"
                           xFract="0.74999763"
                           y3="4.2093"
                           yFract="0.49873223"
                           z3="4.22847"
                           zFract="0.19030018"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02134"
                           xFract="0.00252844"
                           y3="0.02523"
                           yFract="0.00298934"
                           z3="6.28629"
                           zFract="0.28291134"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34018"
                           xFract="0.75120616"
                           y3="4.19922"
                           yFract="0.49753791"
                           z3="8.51685"
                           zFract="0.38329658"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10903"
                           xFract="0.24988507"
                           y3="4.21779"
                           yFract="0.49973815"
                           z3="4.23087"
                           zFract="0.19040819"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26194"
                           xFract="0.50496919"
                           y3="6.31463"
                           yFract="0.74817891"
                           z3="8.49528"
                           zFract="0.38232583"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12995"
                           xFract="0.25236374"
                           y3="8.43671"
                           yFract="0.99961019"
                           z3="4.21422"
                           zFract="0.18965887"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26218"
                           xFract="0.50499763"
                           y3="2.1264"
                           yFract="0.25194313"
                           z3="8.55985"
                           zFract="0.38523177"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08926"
                           xFract="0.24754265"
                           y3="2.11506"
                           yFract="0.25059953"
                           z3="6.43073"
                           zFract="0.28941179"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22652"
                           xFract="0.50077251"
                           y3="6.31186"
                           yFract="0.74785071"
                           z3="4.24804"
                           zFract="0.19118092"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42741"
                           xFract="0.99850829"
                           y3="4.22214"
                           yFract="0.50025355"
                           z3="6.41175"
                           zFract="0.28855761"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09331"
                           xFract="0.24802251"
                           y3="4.21264"
                           yFract="0.49912796"
                           z3="8.6617"
                           zFract="0.38981548"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00239"
                           xFract="-0.00028318"
                           y3="6.24748"
                           yFract="0.74022275"
                           z3="8.74122"
                           zFract="0.39339424"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35009"
                           xFract="0.75238033"
                           y3="6.31917"
                           yFract="0.74871682"
                           z3="6.40793"
                           zFract="0.28838569"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37946"
                           xFract="0.75586019"
                           y3="2.12113"
                           yFract="0.25131872"
                           z3="6.46766"
                           zFract="0.29107381"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22985"
                           xFract="0.50116706"
                           y3="-0.00349"
                           yFract="-0.00041351"
                           z3="6.40114"
                           zFract="0.28808011"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01935"
                           xFract="0.00229265"
                           y3="2.20323"
                           yFract="0.26104621"
                           z3="8.75037"
                           zFract="0.39380603"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00024"
                           xFract="-0.00002844"
                           y3="2.14181"
                           yFract="0.25376896"
                           z3="4.24843"
                           zFract="0.19119847"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06743"
                           xFract="0.24495616"
                           y3="6.29434"
                           yFract="0.74577488"
                           z3="6.4590"
                           zFract="0.29068407"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00776"
                           xFract="0.00091943"
                           y3="6.30209"
                           yFract="0.74669313"
                           z3="4.21797"
                           zFract="0.18982763"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23682"
                           xFract="0.50199289"
                           y3="2.1118"
                           yFract="0.25021327"
                           z3="4.2844"
                           zFract="0.19281728"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3195"
                           xFract="0.74875592"
                           y3="0.05872"
                           yFract="0.00695735"
                           z3="8.54295"
                           zFract="0.3844712"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22359"
                           xFract="0.26345853"
                           y3="0.00147"
                           yFract="0.00017417"
                           z3="8.52662"
                           zFract="0.38373627"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20326"
                           xFract="0.49801659"
                           y3="4.20227"
                           yFract="0.49789929"
                           z3="6.41259"
                           zFract="0.28859541"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31989"
                           xFract="0.74880213"
                           y3="0.00976"
                           yFract="0.0011564"
                           z3="4.24037"
                           zFract="0.19083573"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03206"
                           xFract="0.00379858"
                           y3="2.00612"
                           yFract="0.23769194"
                           z3="6.34025"
                           zFract="0.28533978"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98154"
                           xFract="0.23477962"
                           y3="0.00864"
                           yFract="0.0010237"
                           z3="6.36502"
                           zFract="0.28645455"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01439"
                           xFract="0.00170498"
                           y3="0.00605"
                           yFract="0.00071682"
                           z3="4.18309"
                           zFract="0.18825788"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2786"
                           xFract="0.98087678"
                           y3="8.35267"
                           yFract="0.98965284"
                           z3="9.20669"
                           zFract="0.41434248"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14365"
                           xFract="0.25398697"
                           y3="2.10027"
                           yFract="0.24884716"
                           z3="4.26543"
                           zFract="0.19196355"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11461"
                           xFract="0.25054621"
                           y3="2.05213"
                           yFract="0.24314336"
                           z3="8.57305"
                           zFract="0.38582583"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20427"
                           xFract="0.49813626"
                           y3="2.01402"
                           yFract="0.23862796"
                           z3="6.47723"
                           zFract="0.2915045"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51585"
                           xFract="0.77202014"
                           y3="0.09507"
                           yFract="0.01126422"
                           z3="6.44843"
                           zFract="0.29020837"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22195"
                           xFract="0.50023104"
                           y3="8.39947"
                           yFract="0.99519787"
                           z3="4.15829"
                           zFract="0.18714176"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33465"
                           xFract="0.51358412"
                           y3="8.43049"
                           yFract="0.99887322"
                           z3="8.78298"
                           zFract="0.39527363"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31667"
                           xFract="0.74842062"
                           y3="2.17448"
                           yFract="0.25763981"
                           z3="4.14173"
                           zFract="0.18639649"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.3715"
                           xFract="0.75491706"
                           y3="2.26188"
                           yFract="0.26799526"
                           z3="8.75979"
                           zFract="0.39422997"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41358"
                           xFract="0.99686967"
                           y3="6.48487"
                           yFract="0.76834953"
                           z3="6.31027"
                           zFract="0.28399055"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0833"
                           xFract="0.24683649"
                           y3="4.20477"
                           yFract="0.4981955"
                           z3="6.29357"
                           zFract="0.28323897"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00388"
                           xFract="0.00045972"
                           y3="4.22259"
                           yFract="0.50030687"
                           z3="4.33809"
                           zFract="0.19523357"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37102"
                           xFract="0.99182701"
                           y3="4.24863"
                           yFract="0.50339218"
                           z3="8.48021"
                           zFract="0.38164761"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15815"
                           xFract="0.25570498"
                           y3="6.32758"
                           yFract="0.74971327"
                           z3="4.19543"
                           zFract="0.18881323"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13165"
                           xFract="0.25256517"
                           y3="6.3828"
                           yFract="0.75625592"
                           z3="8.59466"
                           zFract="0.38679838"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24156"
                           xFract="0.5025545"
                           y3="6.41057"
                           yFract="0.75954621"
                           z3="6.39859"
                           zFract="0.28796535"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33663"
                           xFract="0.75078555"
                           y3="4.1176"
                           yFract="0.4878673"
                           z3="6.29519"
                           zFract="0.28331188"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21398"
                           xFract="0.49928673"
                           y3="4.23807"
                           yFract="0.502141"
                           z3="4.24319"
                           zFract="0.19096265"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29743"
                           xFract="0.50917417"
                           y3="4.21766"
                           yFract="0.49972275"
                           z3="8.53245"
                           zFract="0.38399865"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29384"
                           xFract="0.74571564"
                           y3="6.25664"
                           yFract="0.74130806"
                           z3="4.28735"
                           zFract="0.19295005"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35293"
                           xFract="0.75271682"
                           y3="6.1599"
                           yFract="0.72984597"
                           z3="8.49049"
                           zFract="0.38211026"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.31256"
                           xFract="0.98490047"
                           y3="-0.02688"
                           yFract="-0.00318483"
                           z3="10.17764"
                           zFract="0.4580396"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.32985"
                           xFract="0.74998223"
                           y3="4.20931"
                           yFract="0.49873341"
                           z3="4.22826"
                           zFract="0.19029073"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02177"
                           xFract="0.00257938"
                           y3="0.02511"
                           yFract="0.00297512"
                           z3="6.28567"
                           zFract="0.28288344"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3401"
                           xFract="0.75119668"
                           y3="4.19925"
                           yFract="0.49754147"
                           z3="8.51653"
                           zFract="0.38328218"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10908"
                           xFract="0.249891"
                           y3="4.21778"
                           yFract="0.49973697"
                           z3="4.23072"
                           zFract="0.19040144"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26184"
                           xFract="0.50495735"
                           y3="6.31454"
                           yFract="0.74816825"
                           z3="8.49512"
                           zFract="0.38231863"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12996"
                           xFract="0.25236493"
                           y3="8.43675"
                           yFract="0.99961493"
                           z3="4.21415"
                           zFract="0.18965572"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26205"
                           xFract="0.50498223"
                           y3="2.12653"
                           yFract="0.25195853"
                           z3="8.55971"
                           zFract="0.38522547"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08919"
                           xFract="0.24753436"
                           y3="2.11496"
                           yFract="0.25058768"
                           z3="6.43049"
                           zFract="0.28940099"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22651"
                           xFract="0.50077133"
                           y3="6.31184"
                           yFract="0.74784834"
                           z3="4.24794"
                           zFract="0.19117642"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.4273"
                           xFract="0.99849526"
                           y3="4.22215"
                           yFract="0.50025474"
                           z3="6.41142"
                           zFract="0.28854275"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09323"
                           xFract="0.24801303"
                           y3="4.21263"
                           yFract="0.49912678"
                           z3="8.66137"
                           zFract="0.38980063"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00219"
                           xFract="-0.00025948"
                           y3="6.24743"
                           yFract="0.74021682"
                           z3="8.74063"
                           zFract="0.39336769"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35011"
                           xFract="0.7523827"
                           y3="6.31905"
                           yFract="0.74870261"
                           z3="6.40769"
                           zFract="0.28837489"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37941"
                           xFract="0.75585427"
                           y3="2.12119"
                           yFract="0.25132583"
                           z3="6.46737"
                           zFract="0.29106076"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.22969"
                           xFract="0.5011481"
                           y3="-0.0035"
                           yFract="-0.00041469"
                           z3="6.4011"
                           zFract="0.28807831"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01947"
                           xFract="0.00230687"
                           y3="2.20336"
                           yFract="0.26106161"
                           z3="8.74966"
                           zFract="0.39377408"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00022"
                           xFract="-0.00002607"
                           y3="2.14181"
                           yFract="0.25376896"
                           z3="4.24825"
                           zFract="0.19119037"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06733"
                           xFract="0.24494431"
                           y3="6.29441"
                           yFract="0.74578318"
                           z3="6.4586"
                           zFract="0.29066607"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00773"
                           xFract="0.00091588"
                           y3="6.30208"
                           yFract="0.74669194"
                           z3="4.21782"
                           zFract="0.18982088"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23674"
                           xFract="0.50198341"
                           y3="2.11181"
                           yFract="0.25021445"
                           z3="4.28434"
                           zFract="0.19281458"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31918"
                           xFract="0.74871801"
                           y3="0.05873"
                           yFract="0.00695853"
                           z3="8.54265"
                           zFract="0.3844577"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22378"
                           xFract="0.26348104"
                           y3="0.00144"
                           yFract="0.00017062"
                           z3="8.52622"
                           zFract="0.38371827"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20319"
                           xFract="0.49800829"
                           y3="4.20226"
                           yFract="0.4978981"
                           z3="6.41243"
                           zFract="0.28858821"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31976"
                           xFract="0.74878673"
                           y3="0.00975"
                           yFract="0.00115521"
                           z3="4.24029"
                           zFract="0.19083213"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03198"
                           xFract="0.0037891"
                           y3="2.00638"
                           yFract="0.23772275"
                           z3="6.33998"
                           zFract="0.28532763"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9817"
                           xFract="0.23479858"
                           y3="0.00865"
                           yFract="0.00102488"
                           z3="6.36483"
                           zFract="0.28644599"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01439"
                           xFract="0.00170498"
                           y3="0.00605"
                           yFract="0.00071682"
                           z3="4.18328"
                           zFract="0.18826643"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27886"
                           xFract="0.98090758"
                           y3="8.35289"
                           yFract="0.98967891"
                           z3="9.20381"
                           zFract="0.41421287"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14366"
                           xFract="0.25398815"
                           y3="2.10035"
                           yFract="0.24885664"
                           z3="4.26521"
                           zFract="0.19195365"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11472"
                           xFract="0.25055924"
                           y3="2.05229"
                           yFract="0.24316232"
                           z3="8.57274"
                           zFract="0.38581188"/>
                     <atom elementType="O"
                           id="a52"
                           x3="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="2.0139"
                           yFract="0.23861374"
                           z3="6.47694"
                           zFract="0.29149145"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51525"
                           xFract="0.77194905"
                           y3="0.0950"
                           yFract="0.01125592"
                           z3="6.44815"
                           zFract="0.29019577"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22203"
                           xFract="0.50024052"
                           y3="8.39945"
                           yFract="0.9951955"
                           z3="4.15805"
                           zFract="0.18713096"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33447"
                           xFract="0.5135628"
                           y3="8.43044"
                           yFract="0.9988673"
                           z3="8.78328"
                           zFract="0.39528713"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31662"
                           xFract="0.74841469"
                           y3="2.1745"
                           yFract="0.25764218"
                           z3="4.14172"
                           zFract="0.18639604"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37141"
                           xFract="0.7549064"
                           y3="2.26172"
                           yFract="0.2679763"
                           z3="8.75928"
                           zFract="0.39420702"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41346"
                           xFract="0.99685545"
                           y3="6.48451"
                           yFract="0.76830687"
                           z3="6.30993"
                           zFract="0.28397525"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08326"
                           xFract="0.24683175"
                           y3="4.20471"
                           yFract="0.49818839"
                           z3="6.29338"
                           zFract="0.28323042"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00387"
                           xFract="0.00045853"
                           y3="4.22256"
                           yFract="0.50030332"
                           z3="4.33773"
                           zFract="0.19521737"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37082"
                           xFract="0.99180332"
                           y3="4.24861"
                           yFract="0.50338981"
                           z3="8.47984"
                           zFract="0.38163096"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15822"
                           xFract="0.25571327"
                           y3="6.32754"
                           yFract="0.74970853"
                           z3="4.19531"
                           zFract="0.18880783"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13173"
                           xFract="0.25257464"
                           y3="6.3826"
                           yFract="0.75623223"
                           z3="8.59424"
                           zFract="0.38677948"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24157"
                           xFract="0.50255569"
                           y3="6.41072"
                           yFract="0.75956398"
                           z3="6.39833"
                           zFract="0.28795365"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33648"
                           xFract="0.75076777"
                           y3="4.11757"
                           yFract="0.48786374"
                           z3="6.29494"
                           zFract="0.28330063"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21392"
                           xFract="0.49927962"
                           y3="4.23805"
                           yFract="0.50213863"
                           z3="4.24316"
                           zFract="0.1909613"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29737"
                           xFract="0.50916706"
                           y3="4.21768"
                           yFract="0.49972512"
                           z3="8.53221"
                           zFract="0.38398785"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29378"
                           xFract="0.74570853"
                           y3="6.25661"
                           yFract="0.7413045"
                           z3="4.28714"
                           zFract="0.19294059"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3529"
                           xFract="0.75271327"
                           y3="6.16009"
                           yFract="0.72986848"
                           z3="8.49021"
                           zFract="0.38209766"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.31071"
                           xFract="0.98468128"
                           y3="-0.02786"
                           yFract="-0.00330095"
                           z3="10.18032"
                           zFract="0.45816022"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33003"
                           xFract="0.75000355"
                           y3="4.20917"
                           yFract="0.49871682"
                           z3="4.22876"
                           zFract="0.19031323"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02148"
                           xFract="0.00254502"
                           y3="0.02564"
                           yFract="0.00303791"
                           z3="6.28731"
                           zFract="0.28295725"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34054"
                           xFract="0.75124882"
                           y3="4.19927"
                           yFract="0.49754384"
                           z3="8.5172"
                           zFract="0.38331233"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10918"
                           xFract="0.24990284"
                           y3="4.2178"
                           yFract="0.49973934"
                           z3="4.2311"
                           zFract="0.19041854"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26189"
                           xFract="0.50496327"
                           y3="6.31508"
                           yFract="0.74823223"
                           z3="8.49546"
                           zFract="0.38233393"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13025"
                           xFract="0.25239929"
                           y3="8.43667"
                           yFract="0.99960545"
                           z3="4.21409"
                           zFract="0.18965302"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26236"
                           xFract="0.50501896"
                           y3="2.1260"
                           yFract="0.25189573"
                           z3="8.56012"
                           zFract="0.38524392"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.08946"
                           xFract="0.24756635"
                           y3="2.11512"
                           yFract="0.25060664"
                           z3="6.43101"
                           zFract="0.28942439"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22654"
                           xFract="0.50077488"
                           y3="6.31184"
                           yFract="0.74784834"
                           z3="4.2483"
                           zFract="0.19119262"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42744"
                           xFract="0.99851185"
                           y3="4.22212"
                           yFract="0.50025118"
                           z3="6.41222"
                           zFract="0.28857876"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09323"
                           xFract="0.24801303"
                           y3="4.21257"
                           yFract="0.49911967"
                           z3="8.6621"
                           zFract="0.38983348"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00251"
                           xFract="-0.00029739"
                           y3="6.24757"
                           yFract="0.74023341"
                           z3="8.74184"
                           zFract="0.39342214"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.3500"
                           xFract="0.75236967"
                           y3="6.31916"
                           yFract="0.74871564"
                           z3="6.40813"
                           zFract="0.28839469"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37925"
                           xFract="0.75583531"
                           y3="2.12107"
                           yFract="0.25131161"
                           z3="6.46772"
                           zFract="0.29107651"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23027"
                           xFract="0.50121682"
                           y3="-0.00353"
                           yFract="-0.00041825"
                           z3="6.40125"
                           zFract="0.28808506"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01932"
                           xFract="0.0022891"
                           y3="2.2029"
                           yFract="0.26100711"
                           z3="8.75104"
                           zFract="0.39383618"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00017"
                           xFract="-0.00002014"
                           y3="2.14196"
                           yFract="0.25378673"
                           z3="4.24836"
                           zFract="0.19119532"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06746"
                           xFract="0.24495972"
                           y3="6.29444"
                           yFract="0.74578673"
                           z3="6.45918"
                           zFract="0.29069217"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00793"
                           xFract="0.00093957"
                           y3="6.30207"
                           yFract="0.74669076"
                           z3="4.21799"
                           zFract="0.18982853"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23695"
                           xFract="0.50200829"
                           y3="2.11178"
                           yFract="0.2502109"
                           z3="4.28454"
                           zFract="0.19282358"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31886"
                           xFract="0.74868009"
                           y3="0.0588"
                           yFract="0.00696682"
                           z3="8.54312"
                           zFract="0.38447885"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22377"
                           xFract="0.26347986"
                           y3="0.00143"
                           yFract="0.00016943"
                           z3="8.52675"
                           zFract="0.38374212"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20343"
                           xFract="0.49803673"
                           y3="4.20231"
                           yFract="0.49790403"
                           z3="6.41269"
                           zFract="0.28859991"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.31994"
                           xFract="0.74880806"
                           y3="0.00971"
                           yFract="0.00115047"
                           z3="4.24052"
                           zFract="0.19084248"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03203"
                           xFract="0.00379502"
                           y3="2.00577"
                           yFract="0.23765047"
                           z3="6.34028"
                           zFract="0.28534113"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.98122"
                           xFract="0.23474171"
                           y3="0.00866"
                           yFract="0.00102607"
                           z3="6.36482"
                           zFract="0.28644554"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01468"
                           xFract="0.00173934"
                           y3="0.00604"
                           yFract="0.00071564"
                           z3="4.1826"
                           zFract="0.18823582"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27872"
                           xFract="0.980891"
                           y3="8.35221"
                           yFract="0.98959834"
                           z3="9.20666"
                           zFract="0.41434113"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14333"
                           xFract="0.25394905"
                           y3="2.09992"
                           yFract="0.24880569"
                           z3="4.26559"
                           zFract="0.19197075"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11485"
                           xFract="0.25057464"
                           y3="2.05197"
                           yFract="0.24312441"
                           z3="8.57336"
                           zFract="0.38583978"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20416"
                           xFract="0.49812322"
                           y3="2.01417"
                           yFract="0.23864573"
                           z3="6.47743"
                           zFract="0.2915135"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.51667"
                           xFract="0.7721173"
                           y3="0.09515"
                           yFract="0.0112737"
                           z3="6.44862"
                           zFract="0.29021692"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22157"
                           xFract="0.50018602"
                           y3="8.39961"
                           yFract="0.99521445"
                           z3="4.15875"
                           zFract="0.18716247"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33481"
                           xFract="0.51360308"
                           y3="8.43062"
                           yFract="0.99888863"
                           z3="8.78277"
                           zFract="0.39526418"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31677"
                           xFract="0.74843246"
                           y3="2.17455"
                           yFract="0.2576481"
                           z3="4.1417"
                           zFract="0.18639514"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37144"
                           xFract="0.75490995"
                           y3="2.26211"
                           yFract="0.26802251"
                           z3="8.76028"
                           zFract="0.39425203"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41367"
                           xFract="0.99688033"
                           y3="6.48522"
                           yFract="0.768391"
                           z3="6.31042"
                           zFract="0.2839973"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08339"
                           xFract="0.24684716"
                           y3="4.20464"
                           yFract="0.49818009"
                           z3="6.29391"
                           zFract="0.28325428"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00366"
                           xFract="0.00043365"
                           y3="4.2226"
                           yFract="0.50030806"
                           z3="4.33856"
                           zFract="0.19525473"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37098"
                           xFract="0.99182227"
                           y3="4.24874"
                           yFract="0.50340521"
                           z3="8.48055"
                           zFract="0.38166292"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15788"
                           xFract="0.25567299"
                           y3="6.32774"
                           yFract="0.74973223"
                           z3="4.19548"
                           zFract="0.18881548"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1320"
                           xFract="0.25260664"
                           y3="6.38295"
                           yFract="0.7562737"
                           z3="8.59488"
                           zFract="0.38680828"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24128"
                           xFract="0.50252133"
                           y3="6.41046"
                           yFract="0.75953318"
                           z3="6.39869"
                           zFract="0.28796985"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33672"
                           xFract="0.75079621"
                           y3="4.11774"
                           yFract="0.48788389"
                           z3="6.29522"
                           zFract="0.28331323"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21409"
                           xFract="0.49929976"
                           y3="4.23832"
                           yFract="0.50217062"
                           z3="4.24321"
                           zFract="0.19096355"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29704"
                           xFract="0.50912796"
                           y3="4.21763"
                           yFract="0.49971919"
                           z3="8.53299"
                           zFract="0.38402295"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29404"
                           xFract="0.74573934"
                           y3="6.25647"
                           yFract="0.74128791"
                           z3="4.28735"
                           zFract="0.19295005"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35281"
                           xFract="0.75270261"
                           y3="6.15946"
                           yFract="0.72979384"
                           z3="8.4905"
                           zFract="0.38211071"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.30515"
                           xFract="0.98402251"
                           y3="-0.0308"
                           yFract="-0.00364929"
                           z3="10.18839"
                           zFract="0.4585234"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3306"
                           xFract="0.75007109"
                           y3="4.20873"
                           yFract="0.49866469"
                           z3="4.23028"
                           zFract="0.19038164"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02061"
                           xFract="0.00244194"
                           y3="0.02723"
                           yFract="0.0032263"
                           z3="6.29223"
                           zFract="0.28317867"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34187"
                           xFract="0.7514064"
                           y3="4.19933"
                           yFract="0.49755095"
                           z3="8.51923"
                           zFract="0.38340369"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10946"
                           xFract="0.24993602"
                           y3="4.21787"
                           yFract="0.49974763"
                           z3="4.23224"
                           zFract="0.19046985"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26202"
                           xFract="0.50497867"
                           y3="6.3167"
                           yFract="0.74842417"
                           z3="8.49649"
                           zFract="0.38238029"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13111"
                           xFract="0.25250118"
                           y3="8.43645"
                           yFract="0.99957938"
                           z3="4.21394"
                           zFract="0.18964626"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26327"
                           xFract="0.50512678"
                           y3="2.12441"
                           yFract="0.25170735"
                           z3="8.56134"
                           zFract="0.38529883"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.0903"
                           xFract="0.24766588"
                           y3="2.1156"
                           yFract="0.25066351"
                           z3="6.43255"
                           zFract="0.2894937"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2266"
                           xFract="0.50078199"
                           y3="6.31185"
                           yFract="0.74784953"
                           z3="4.24938"
                           zFract="0.19124122"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42785"
                           xFract="0.99856043"
                           y3="4.22201"
                           yFract="0.50023815"
                           z3="6.41465"
                           zFract="0.28868812"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09323"
                           xFract="0.24801303"
                           y3="4.2124"
                           yFract="0.49909953"
                           z3="8.66428"
                           zFract="0.38993159"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00348"
                           xFract="-0.00041232"
                           y3="6.24798"
                           yFract="0.74028199"
                           z3="8.74549"
                           zFract="0.39358641"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34968"
                           xFract="0.75233175"
                           y3="6.31948"
                           yFract="0.74875355"
                           z3="6.40944"
                           zFract="0.28845365"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37877"
                           xFract="0.75577844"
                           y3="2.1207"
                           yFract="0.25126777"
                           z3="6.46877"
                           zFract="0.29112376"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23201"
                           xFract="0.50142299"
                           y3="-0.00361"
                           yFract="-0.00042773"
                           z3="6.40168"
                           zFract="0.28810441"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01888"
                           xFract="0.00223697"
                           y3="2.20151"
                           yFract="0.26084242"
                           z3="8.75519"
                           zFract="0.39402295"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.00002"
                           xFract="-0.00000237"
                           y3="2.14242"
                           yFract="0.25384123"
                           z3="4.24867"
                           zFract="0.19120927"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06782"
                           xFract="0.24500237"
                           y3="6.29452"
                           yFract="0.74579621"
                           z3="6.46094"
                           zFract="0.29077138"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.0085"
                           xFract="0.00100711"
                           y3="6.30206"
                           yFract="0.74668957"
                           z3="4.21852"
                           zFract="0.18985239"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23756"
                           xFract="0.50208057"
                           y3="2.11167"
                           yFract="0.25019787"
                           z3="4.28512"
                           zFract="0.19284968"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31789"
                           xFract="0.74856517"
                           y3="0.0590"
                           yFract="0.00699052"
                           z3="8.54453"
                           zFract="0.3845423"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22375"
                           xFract="0.26347749"
                           y3="0.00141"
                           yFract="0.00016706"
                           z3="8.52833"
                           zFract="0.38381323"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20415"
                           xFract="0.49812204"
                           y3="4.20249"
                           yFract="0.49792536"
                           z3="6.41347"
                           zFract="0.28863501"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32048"
                           xFract="0.74887204"
                           y3="0.00959"
                           yFract="0.00113626"
                           z3="4.24121"
                           zFract="0.19087354"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03218"
                           xFract="0.0038128"
                           y3="2.00394"
                           yFract="0.23743365"
                           z3="6.34119"
                           zFract="0.28538209"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97977"
                           xFract="0.23456991"
                           y3="0.00868"
                           yFract="0.00102844"
                           z3="6.36481"
                           zFract="0.28644509"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01557"
                           xFract="0.00184479"
                           y3="0.00601"
                           yFract="0.00071209"
                           z3="4.18055"
                           zFract="0.18814356"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27828"
                           xFract="0.98083886"
                           y3="8.35017"
                           yFract="0.98935664"
                           z3="9.21521"
                           zFract="0.41472592"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14234"
                           xFract="0.25383175"
                           y3="2.09861"
                           yFract="0.24865047"
                           z3="4.26673"
                           zFract="0.19202205"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11523"
                           xFract="0.25061967"
                           y3="2.05103"
                           yFract="0.24301303"
                           z3="8.57521"
                           zFract="0.38592304"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20411"
                           xFract="0.4981173"
                           y3="2.0150"
                           yFract="0.23874408"
                           z3="6.4789"
                           zFract="0.29157966"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.52091"
                           xFract="0.77261967"
                           y3="0.0956"
                           yFract="0.01132701"
                           z3="6.45002"
                           zFract="0.29027993"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22016"
                           xFract="0.50001896"
                           y3="8.40011"
                           yFract="0.9952737"
                           z3="4.16084"
                           zFract="0.18725653"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33586"
                           xFract="0.51372749"
                           y3="8.43115"
                           yFract="0.99895142"
                           z3="8.78126"
                           zFract="0.39519622"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31724"
                           xFract="0.74848815"
                           y3="2.17472"
                           yFract="0.25766825"
                           z3="4.14163"
                           zFract="0.18639199"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37155"
                           xFract="0.75492299"
                           y3="2.26326"
                           yFract="0.26815877"
                           z3="8.76329"
                           zFract="0.39438749"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41428"
                           xFract="0.99695261"
                           y3="6.48735"
                           yFract="0.76864336"
                           z3="6.31191"
                           zFract="0.28406436"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08377"
                           xFract="0.24689218"
                           y3="4.20442"
                           yFract="0.49815403"
                           z3="6.29551"
                           zFract="0.28332628"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00304"
                           xFract="0.00036019"
                           y3="4.22272"
                           yFract="0.50032227"
                           z3="4.34103"
                           zFract="0.19536589"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37145"
                           xFract="0.99187796"
                           y3="4.24911"
                           yFract="0.50344905"
                           z3="8.48267"
                           zFract="0.38175833"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15685"
                           xFract="0.25555095"
                           y3="6.32835"
                           yFract="0.7498045"
                           z3="4.1960"
                           zFract="0.18883888"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13283"
                           xFract="0.25270498"
                           y3="6.38399"
                           yFract="0.75639692"
                           z3="8.5968"
                           zFract="0.38689469"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.24044"
                           xFract="0.5024218"
                           y3="6.40968"
                           yFract="0.75944076"
                           z3="6.39979"
                           zFract="0.28801935"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33746"
                           xFract="0.75088389"
                           y3="4.11825"
                           yFract="0.48794431"
                           z3="6.29609"
                           zFract="0.28335239"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21458"
                           xFract="0.49935782"
                           y3="4.23914"
                           yFract="0.50226777"
                           z3="4.24334"
                           zFract="0.1909694"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29604"
                           xFract="0.50900948"
                           y3="4.21746"
                           yFract="0.49969905"
                           z3="8.53534"
                           zFract="0.38412871"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29483"
                           xFract="0.74583294"
                           y3="6.25607"
                           yFract="0.74124052"
                           z3="4.28798"
                           zFract="0.1929784"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35253"
                           xFract="0.75266943"
                           y3="6.15757"
                           yFract="0.72956991"
                           z3="8.49137"
                           zFract="0.38214986"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a80" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="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="8.29404"
                           xFract="0.98270616"
                           y3="-0.03669"
                           yFract="-0.00434716"
                           z3="10.20453"
                           zFract="0.45924977"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33174"
                           xFract="0.75020616"
                           y3="4.20786"
                           yFract="0.49856161"
                           z3="4.23331"
                           zFract="0.190518"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01886"
                           xFract="0.0022346"
                           y3="0.03042"
                           yFract="0.00360427"
                           z3="6.30207"
                           zFract="0.28362151"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34453"
                           xFract="0.75172156"
                           y3="4.19946"
                           yFract="0.49756635"
                           z3="8.52329"
                           zFract="0.38358641"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11003"
                           xFract="0.25000355"
                           y3="4.21801"
                           yFract="0.49976422"
                           z3="4.23452"
                           zFract="0.19057246"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2623"
                           xFract="0.50501185"
                           y3="6.31995"
                           yFract="0.74880924"
                           z3="8.49855"
                           zFract="0.382473"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13283"
                           xFract="0.25270498"
                           y3="8.4360"
                           yFract="0.99952607"
                           z3="4.21362"
                           zFract="0.18963186"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2651"
                           xFract="0.5053436"
                           y3="2.12124"
                           yFract="0.25133175"
                           z3="8.56378"
                           zFract="0.38540864"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09198"
                           xFract="0.24786493"
                           y3="2.11656"
                           yFract="0.25077725"
                           z3="6.43565"
                           zFract="0.28963321"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22674"
                           xFract="0.50079858"
                           y3="6.31186"
                           yFract="0.74785071"
                           z3="4.25154"
                           zFract="0.19133843"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42867"
                           xFract="0.99865758"
                           y3="4.2218"
                           yFract="0.50021327"
                           z3="6.4195"
                           zFract="0.28890639"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09322"
                           xFract="0.24801185"
                           y3="4.21205"
                           yFract="0.49905806"
                           z3="8.66865"
                           zFract="0.39012826"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00542"
                           xFract="-0.00064218"
                           y3="6.24881"
                           yFract="0.74038033"
                           z3="8.75277"
                           zFract="0.39391404"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34904"
                           xFract="0.75225592"
                           y3="6.32013"
                           yFract="0.74883057"
                           z3="6.41206"
                           zFract="0.28857156"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37781"
                           xFract="0.75566469"
                           y3="2.11995"
                           yFract="0.25117891"
                           z3="6.47088"
                           zFract="0.29121872"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23551"
                           xFract="0.50183768"
                           y3="-0.00376"
                           yFract="-0.0004455"
                           z3="6.40253"
                           zFract="0.28814266"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01801"
                           xFract="0.00213389"
                           y3="2.19873"
                           yFract="0.26051303"
                           z3="8.7635"
                           zFract="0.39439694"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00028"
                           xFract="0.00003318"
                           y3="2.14333"
                           yFract="0.25394905"
                           z3="4.24929"
                           zFract="0.19123717"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06856"
                           xFract="0.24509005"
                           y3="6.29469"
                           yFract="0.74581635"
                           z3="6.46444"
                           zFract="0.29092889"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00966"
                           xFract="0.00114455"
                           y3="6.30203"
                           yFract="0.74668602"
                           z3="4.21959"
                           zFract="0.18990054"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2388"
                           xFract="0.50222749"
                           y3="2.11145"
                           yFract="0.2501718"
                           z3="4.2863"
                           zFract="0.19290279"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31596"
                           xFract="0.74833649"
                           y3="0.05939"
                           yFract="0.00703673"
                           z3="8.54735"
                           zFract="0.38466922"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22369"
                           xFract="0.26347038"
                           y3="0.00136"
                           yFract="0.00016114"
                           z3="8.5315"
                           zFract="0.3839559"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20559"
                           xFract="0.49829265"
                           y3="4.20284"
                           yFract="0.49796682"
                           z3="6.41504"
                           zFract="0.28870567"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32156"
                           xFract="0.7490"
                           y3="0.00935"
                           yFract="0.00110782"
                           z3="4.24259"
                           zFract="0.19093564"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0325"
                           xFract="0.00385071"
                           y3="2.00028"
                           yFract="0.2370"
                           z3="6.34301"
                           zFract="0.285464"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97688"
                           xFract="0.23422749"
                           y3="0.00873"
                           yFract="0.00103436"
                           z3="6.36477"
                           zFract="0.28644329"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01733"
                           xFract="0.00205332"
                           y3="0.00594"
                           yFract="0.00070379"
                           z3="4.17645"
                           zFract="0.18795905"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27742"
                           xFract="0.98073697"
                           y3="8.3461"
                           yFract="0.98887441"
                           z3="9.2323"
                           zFract="0.41549505"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14036"
                           xFract="0.25359716"
                           y3="2.0960"
                           yFract="0.24834123"
                           z3="4.2690"
                           zFract="0.19212421"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11601"
                           xFract="0.25071209"
                           y3="2.04915"
                           yFract="0.24279028"
                           z3="8.57892"
                           zFract="0.38609001"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20402"
                           xFract="0.49810664"
                           y3="2.01667"
                           yFract="0.23894194"
                           z3="6.48185"
                           zFract="0.29171242"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.52941"
                           xFract="0.77362678"
                           y3="0.0965"
                           yFract="0.01143365"
                           z3="6.45282"
                           zFract="0.29040594"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21736"
                           xFract="0.4996872"
                           y3="8.40109"
                           yFract="0.99538981"
                           z3="4.16502"
                           zFract="0.18744464"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33794"
                           xFract="0.51397393"
                           y3="8.43221"
                           yFract="0.99907701"
                           z3="8.77823"
                           zFract="0.39505986"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31817"
                           xFract="0.74859834"
                           y3="2.17504"
                           yFract="0.25770616"
                           z3="4.14151"
                           zFract="0.18638659"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37177"
                           xFract="0.75494905"
                           y3="2.26557"
                           yFract="0.26843246"
                           z3="8.7693"
                           zFract="0.39465797"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41551"
                           xFract="0.99709834"
                           y3="6.49162"
                           yFract="0.76914929"
                           z3="6.31488"
                           zFract="0.28419802"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08454"
                           xFract="0.24698341"
                           y3="4.20398"
                           yFract="0.4981019"
                           z3="6.29871"
                           zFract="0.2834703"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00181"
                           xFract="0.00021445"
                           y3="4.22297"
                           yFract="0.5003519"
                           z3="4.34598"
                           zFract="0.19558866"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3724"
                           xFract="0.99199052"
                           y3="4.24985"
                           yFract="0.50353673"
                           z3="8.48692"
                           zFract="0.38194959"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1548"
                           xFract="0.25530806"
                           y3="6.32957"
                           yFract="0.74994905"
                           z3="4.19703"
                           zFract="0.18888524"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13447"
                           xFract="0.25289929"
                           y3="6.38608"
                           yFract="0.75664455"
                           z3="8.60064"
                           zFract="0.38706751"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23875"
                           xFract="0.50222156"
                           y3="6.40813"
                           yFract="0.75925711"
                           z3="6.40199"
                           zFract="0.28811836"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33894"
                           xFract="0.75105924"
                           y3="4.11928"
                           yFract="0.48806635"
                           z3="6.29782"
                           zFract="0.28343024"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21557"
                           xFract="0.49947512"
                           y3="4.24077"
                           yFract="0.5024609"
                           z3="4.24361"
                           zFract="0.19098155"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29404"
                           xFract="0.50877251"
                           y3="4.21713"
                           yFract="0.49965995"
                           z3="8.54002"
                           zFract="0.38433933"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29642"
                           xFract="0.74602133"
                           y3="6.25526"
                           yFract="0.74114455"
                           z3="4.28923"
                           zFract="0.19303465"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35197"
                           xFract="0.75260308"
                           y3="6.15378"
                           yFract="0.72912085"
                           z3="8.49312"
                           zFract="0.38222862"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.60">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.29921"
                           xFract="0.98331872"
                           y3="-0.03395"
                           yFract="-0.00402251"
                           z3="10.19702"
                           zFract="0.45891179"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33121"
                           xFract="0.75014336"
                           y3="4.20826"
                           yFract="0.498609"
                           z3="4.2319"
                           zFract="0.19045455"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.01967"
                           xFract="0.00233057"
                           y3="0.02894"
                           yFract="0.00342891"
                           z3="6.2975"
                           zFract="0.28341584"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34329"
                           xFract="0.75157464"
                           y3="4.1994"
                           yFract="0.49755924"
                           z3="8.52141"
                           zFract="0.3835018"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10976"
                           xFract="0.24997156"
                           y3="4.21795"
                           yFract="0.49975711"
                           z3="4.23346"
                           zFract="0.19052475"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26217"
                           xFract="0.50499645"
                           y3="6.31844"
                           yFract="0.74863033"
                           z3="8.4976"
                           zFract="0.38243024"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13203"
                           xFract="0.25261019"
                           y3="8.43621"
                           yFract="0.99955095"
                           z3="4.21377"
                           zFract="0.18963861"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26425"
                           xFract="0.50524289"
                           y3="2.12272"
                           yFract="0.25150711"
                           z3="8.56265"
                           zFract="0.38535779"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.0912"
                           xFract="0.24777251"
                           y3="2.11611"
                           yFract="0.25072393"
                           z3="6.43421"
                           zFract="0.28956841"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22668"
                           xFract="0.50079147"
                           y3="6.31186"
                           yFract="0.74785071"
                           z3="4.25053"
                           zFract="0.19129298"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42829"
                           xFract="0.99861256"
                           y3="4.2219"
                           yFract="0.50022512"
                           z3="6.41724"
                           zFract="0.28880468"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09323"
                           xFract="0.24801303"
                           y3="4.21221"
                           yFract="0.49907701"
                           z3="8.66662"
                           zFract="0.3900369"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00452"
                           xFract="-0.00053555"
                           y3="6.24842"
                           yFract="0.74033412"
                           z3="8.74938"
                           zFract="0.39376148"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34934"
                           xFract="0.75229147"
                           y3="6.31983"
                           yFract="0.74879502"
                           z3="6.41084"
                           zFract="0.28851665"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37825"
                           xFract="0.75571682"
                           y3="2.1203"
                           yFract="0.25122038"
                           z3="6.4699"
                           zFract="0.29117462"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23388"
                           xFract="0.50164455"
                           y3="-0.00369"
                           yFract="-0.0004372"
                           z3="6.40213"
                           zFract="0.28812466"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01841"
                           xFract="0.00218128"
                           y3="2.20002"
                           yFract="0.26066588"
                           z3="8.75963"
                           zFract="0.39422277"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00014"
                           xFract="0.00001659"
                           y3="2.14291"
                           yFract="0.25389929"
                           z3="4.2490"
                           zFract="0.19122412"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06822"
                           xFract="0.24504976"
                           y3="6.29461"
                           yFract="0.74580687"
                           z3="6.46281"
                           zFract="0.29085554"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00912"
                           xFract="0.00108057"
                           y3="6.30205"
                           yFract="0.74668839"
                           z3="4.21909"
                           zFract="0.18987804"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23822"
                           xFract="0.50215877"
                           y3="2.11155"
                           yFract="0.25018365"
                           z3="4.28575"
                           zFract="0.19287804"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31685"
                           xFract="0.74844194"
                           y3="0.05921"
                           yFract="0.0070154"
                           z3="8.54604"
                           zFract="0.38461026"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22372"
                           xFract="0.26347393"
                           y3="0.00138"
                           yFract="0.00016351"
                           z3="8.53002"
                           zFract="0.38388929"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20492"
                           xFract="0.49821327"
                           y3="4.20267"
                           yFract="0.49794668"
                           z3="6.41431"
                           zFract="0.28867282"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32106"
                           xFract="0.74894076"
                           y3="0.00946"
                           yFract="0.00112085"
                           z3="4.24195"
                           zFract="0.19090684"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03235"
                           xFract="0.00383294"
                           y3="2.00198"
                           yFract="0.23720142"
                           z3="6.34216"
                           zFract="0.28542574"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97823"
                           xFract="0.23438744"
                           y3="0.0087"
                           yFract="0.00103081"
                           z3="6.36479"
                           zFract="0.28644419"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01651"
                           xFract="0.00195616"
                           y3="0.00597"
                           yFract="0.00070735"
                           z3="4.17835"
                           zFract="0.18804455"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27782"
                           xFract="0.98078436"
                           y3="8.34799"
                           yFract="0.98909834"
                           z3="9.22435"
                           zFract="0.41513726"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14128"
                           xFract="0.25370616"
                           y3="2.09722"
                           yFract="0.24848578"
                           z3="4.26794"
                           zFract="0.19207651"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11565"
                           xFract="0.25066943"
                           y3="2.05003"
                           yFract="0.24289455"
                           z3="8.5772"
                           zFract="0.3860126"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20406"
                           xFract="0.49811137"
                           y3="2.01589"
                           yFract="0.23884953"
                           z3="6.48048"
                           zFract="0.29165077"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.52546"
                           xFract="0.77315877"
                           y3="0.09608"
                           yFract="0.01138389"
                           z3="6.45152"
                           zFract="0.29034743"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21866"
                           xFract="0.49984123"
                           y3="8.40063"
                           yFract="0.99533531"
                           z3="4.16308"
                           zFract="0.18735734"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33697"
                           xFract="0.513859"
                           y3="8.43172"
                           yFract="0.99901896"
                           z3="8.77964"
                           zFract="0.39512331"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31773"
                           xFract="0.74854621"
                           y3="2.17489"
                           yFract="0.25768839"
                           z3="4.14157"
                           zFract="0.18638929"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37167"
                           xFract="0.7549372"
                           y3="2.2645"
                           yFract="0.26830569"
                           z3="8.76651"
                           zFract="0.3945324"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41494"
                           xFract="0.99703081"
                           y3="6.48964"
                           yFract="0.76891469"
                           z3="6.3135"
                           zFract="0.28413591"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08418"
                           xFract="0.24694076"
                           y3="4.20419"
                           yFract="0.49812678"
                           z3="6.29722"
                           zFract="0.28340324"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00238"
                           xFract="0.00028199"
                           y3="4.22285"
                           yFract="0.50033768"
                           z3="4.34368"
                           zFract="0.19548515"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37196"
                           xFract="0.99193839"
                           y3="4.24951"
                           yFract="0.50349645"
                           z3="8.48494"
                           zFract="0.38186049"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15575"
                           xFract="0.25542062"
                           y3="6.3290"
                           yFract="0.74988152"
                           z3="4.19655"
                           zFract="0.18886364"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13371"
                           xFract="0.25280924"
                           y3="6.38511"
                           yFract="0.75652962"
                           z3="8.59885"
                           zFract="0.38698695"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23953"
                           xFract="0.50231398"
                           y3="6.40885"
                           yFract="0.75934242"
                           z3="6.40097"
                           zFract="0.28807246"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33825"
                           xFract="0.75097749"
                           y3="4.1188"
                           yFract="0.48800948"
                           z3="6.29702"
                           zFract="0.28339424"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21511"
                           xFract="0.49942062"
                           y3="4.24001"
                           yFract="0.50237085"
                           z3="4.24348"
                           zFract="0.1909757"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29497"
                           xFract="0.5088827"
                           y3="4.21729"
                           yFract="0.49967891"
                           z3="8.53784"
                           zFract="0.38424122"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29568"
                           xFract="0.74593365"
                           y3="6.25563"
                           yFract="0.74118839"
                           z3="4.28865"
                           zFract="0.19300855"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35223"
                           xFract="0.75263389"
                           y3="6.15554"
                           yFract="0.72932938"
                           z3="8.49231"
                           zFract="0.38219217"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.61">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.29759"
                           xFract="0.98312678"
                           y3="-0.03479"
                           yFract="-0.00412204"
                           z3="10.20079"
                           zFract="0.45908146"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33133"
                           xFract="0.75015758"
                           y3="4.20821"
                           yFract="0.49860308"
                           z3="4.23228"
                           zFract="0.19047165"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02035"
                           xFract="0.00241114"
                           y3="0.02914"
                           yFract="0.00345261"
                           z3="6.29884"
                           zFract="0.28347615"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34335"
                           xFract="0.75158175"
                           y3="4.19934"
                           yFract="0.49755213"
                           z3="8.52206"
                           zFract="0.38353105"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10983"
                           xFract="0.24997986"
                           y3="4.21794"
                           yFract="0.49975592"
                           z3="4.23379"
                           zFract="0.1905396"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26213"
                           xFract="0.50499171"
                           y3="6.31866"
                           yFract="0.7486564"
                           z3="8.4979"
                           zFract="0.38244374"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13193"
                           xFract="0.25259834"
                           y3="8.43618"
                           yFract="0.99954739"
                           z3="4.21385"
                           zFract="0.18964221"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26446"
                           xFract="0.50526777"
                           y3="2.12256"
                           yFract="0.25148815"
                           z3="8.56306"
                           zFract="0.38537624"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09139"
                           xFract="0.24779502"
                           y3="2.11604"
                           yFract="0.25071564"
                           z3="6.43462"
                           zFract="0.28958686"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22667"
                           xFract="0.50079028"
                           y3="6.31183"
                           yFract="0.74784716"
                           z3="4.25085"
                           zFract="0.19130738"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.4284"
                           xFract="0.99862559"
                           y3="4.22188"
                           yFract="0.50022275"
                           z3="6.4180"
                           zFract="0.28883888"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09328"
                           xFract="0.24801896"
                           y3="4.21214"
                           yFract="0.49906872"
                           z3="8.66731"
                           zFract="0.39006796"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.0047"
                           xFract="-0.00055687"
                           y3="6.24859"
                           yFract="0.74035427"
                           z3="8.75049"
                           zFract="0.39381143"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34934"
                           xFract="0.75229147"
                           y3="6.31985"
                           yFract="0.74879739"
                           z3="6.41117"
                           zFract="0.2885315"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37811"
                           xFract="0.75570024"
                           y3="2.12037"
                           yFract="0.25122867"
                           z3="6.47017"
                           zFract="0.29118677"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23433"
                           xFract="0.50169787"
                           y3="-0.00373"
                           yFract="-0.00044194"
                           z3="6.40222"
                           zFract="0.28812871"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01837"
                           xFract="0.00217654"
                           y3="2.19956"
                           yFract="0.26061137"
                           z3="8.76086"
                           zFract="0.39427813"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00029"
                           xFract="0.00003436"
                           y3="2.14284"
                           yFract="0.253891"
                           z3="4.2491"
                           zFract="0.19122862"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06822"
                           xFract="0.24504976"
                           y3="6.29478"
                           yFract="0.74582701"
                           z3="6.46328"
                           zFract="0.29087669"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00932"
                           xFract="0.00110427"
                           y3="6.30224"
                           yFract="0.7467109"
                           z3="4.21936"
                           zFract="0.18989019"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23826"
                           xFract="0.50216351"
                           y3="2.11163"
                           yFract="0.25019313"
                           z3="4.28594"
                           zFract="0.19288659"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31695"
                           xFract="0.74845379"
                           y3="0.05933"
                           yFract="0.00702962"
                           z3="8.54647"
                           zFract="0.38462961"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22358"
                           xFract="0.26345735"
                           y3="0.00136"
                           yFract="0.00016114"
                           z3="8.53037"
                           zFract="0.38390504"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20517"
                           xFract="0.49824289"
                           y3="4.20273"
                           yFract="0.49795379"
                           z3="6.41474"
                           zFract="0.28869217"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3214"
                           xFract="0.74898104"
                           y3="0.0094"
                           yFract="0.00111374"
                           z3="4.24212"
                           zFract="0.19091449"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03229"
                           xFract="0.00382583"
                           y3="2.00155"
                           yFract="0.23715047"
                           z3="6.34251"
                           zFract="0.28544149"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97747"
                           xFract="0.23429739"
                           y3="0.00876"
                           yFract="0.00103791"
                           z3="6.3649"
                           zFract="0.28644914"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01667"
                           xFract="0.00197512"
                           y3="0.00596"
                           yFract="0.00070616"
                           z3="4.17774"
                           zFract="0.1880171"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27743"
                           xFract="0.98073815"
                           y3="8.34726"
                           yFract="0.98901185"
                           z3="9.22561"
                           zFract="0.41519397"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14115"
                           xFract="0.25369076"
                           y3="2.09706"
                           yFract="0.24846682"
                           z3="4.26819"
                           zFract="0.19208776"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11577"
                           xFract="0.25068365"
                           y3="2.0497"
                           yFract="0.24285545"
                           z3="8.57778"
                           zFract="0.3860387"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20416"
                           xFract="0.49812322"
                           y3="2.01612"
                           yFract="0.23887678"
                           z3="6.48083"
                           zFract="0.29166652"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.52653"
                           xFract="0.77328555"
                           y3="0.0962"
                           yFract="0.0113981"
                           z3="6.45206"
                           zFract="0.29037174"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21852"
                           xFract="0.49982464"
                           y3="8.40075"
                           yFract="0.99534953"
                           z3="4.16375"
                           zFract="0.18738749"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33723"
                           xFract="0.51388981"
                           y3="8.43185"
                           yFract="0.99903436"
                           z3="8.77921"
                           zFract="0.39510396"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31779"
                           xFract="0.74855332"
                           y3="2.17488"
                           yFract="0.2576872"
                           z3="4.14159"
                           zFract="0.18639019"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37176"
                           xFract="0.75494787"
                           y3="2.26469"
                           yFract="0.2683282"
                           z3="8.76745"
                           zFract="0.39457471"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41502"
                           xFract="0.99704028"
                           y3="6.49041"
                           yFract="0.76900592"
                           z3="6.31399"
                           zFract="0.28415797"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08425"
                           xFract="0.24694905"
                           y3="4.20411"
                           yFract="0.4981173"
                           z3="6.29774"
                           zFract="0.28342664"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00224"
                           xFract="0.0002654"
                           y3="4.22289"
                           yFract="0.50034242"
                           z3="4.34442"
                           zFract="0.19551845"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37218"
                           xFract="0.99196445"
                           y3="4.24961"
                           yFract="0.50350829"
                           z3="8.48563"
                           zFract="0.38189154"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15561"
                           xFract="0.25540403"
                           y3="6.32903"
                           yFract="0.74988507"
                           z3="4.19663"
                           zFract="0.18886724"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13401"
                           xFract="0.25284479"
                           y3="6.38547"
                           yFract="0.75657227"
                           z3="8.59943"
                           zFract="0.38701305"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23933"
                           xFract="0.50229028"
                           y3="6.40865"
                           yFract="0.75931872"
                           z3="6.40122"
                           zFract="0.28808371"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33841"
                           xFract="0.75099645"
                           y3="4.11886"
                           yFract="0.48801659"
                           z3="6.2973"
                           zFract="0.28340684"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21524"
                           xFract="0.49943602"
                           y3="4.24014"
                           yFract="0.50238626"
                           z3="4.24352"
                           zFract="0.1909775"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29468"
                           xFract="0.50884834"
                           y3="4.21723"
                           yFract="0.4996718"
                           z3="8.53856"
                           zFract="0.38427363"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29582"
                           xFract="0.74595024"
                           y3="6.25556"
                           yFract="0.74118009"
                           z3="4.28886"
                           zFract="0.193018"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35211"
                           xFract="0.75261967"
                           y3="6.15518"
                           yFract="0.72928673"
                           z3="8.49256"
                           zFract="0.38220342"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.62">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.2949"
                           xFract="0.98280806"
                           y3="-0.03618"
                           yFract="-0.00428673"
                           z3="10.20704"
                           zFract="0.45936274"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33154"
                           xFract="0.75018246"
                           y3="4.20811"
                           yFract="0.49859123"
                           z3="4.23291"
                           zFract="0.1905"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02148"
                           xFract="0.00254502"
                           y3="0.02946"
                           yFract="0.00349052"
                           z3="6.30108"
                           zFract="0.28357696"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34344"
                           xFract="0.75159242"
                           y3="4.19924"
                           yFract="0.49754028"
                           z3="8.52314"
                           zFract="0.38357966"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10994"
                           xFract="0.24999289"
                           y3="4.21792"
                           yFract="0.49975355"
                           z3="4.23434"
                           zFract="0.19056436"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26206"
                           xFract="0.50498341"
                           y3="6.31901"
                           yFract="0.74869787"
                           z3="8.49841"
                           zFract="0.3824667"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.13177"
                           xFract="0.25257938"
                           y3="8.43614"
                           yFract="0.99954265"
                           z3="4.2140"
                           zFract="0.18964896"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2648"
                           xFract="0.50530806"
                           y3="2.1223"
                           yFract="0.25145735"
                           z3="8.56375"
                           zFract="0.38540729"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.0917"
                           xFract="0.24783175"
                           y3="2.11593"
                           yFract="0.25070261"
                           z3="6.43531"
                           zFract="0.28961791"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22666"
                           xFract="0.5007891"
                           y3="6.3118"
                           yFract="0.7478436"
                           z3="4.25138"
                           zFract="0.19133123"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42857"
                           xFract="0.99864573"
                           y3="4.22185"
                           yFract="0.50021919"
                           z3="6.41925"
                           zFract="0.28889514"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09336"
                           xFract="0.24802844"
                           y3="4.21203"
                           yFract="0.49905569"
                           z3="8.66845"
                           zFract="0.39011926"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.0050"
                           xFract="-0.00059242"
                           y3="6.24885"
                           yFract="0.74038507"
                           z3="8.75234"
                           zFract="0.39389469"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34935"
                           xFract="0.75229265"
                           y3="6.31988"
                           yFract="0.74880095"
                           z3="6.41172"
                           zFract="0.28855626"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37788"
                           xFract="0.75567299"
                           y3="2.1205"
                           yFract="0.25124408"
                           z3="6.4706"
                           zFract="0.29120612"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23507"
                           xFract="0.50178555"
                           y3="-0.00379"
                           yFract="-0.00044905"
                           z3="6.40236"
                           zFract="0.28813501"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.0183"
                           xFract="0.00216825"
                           y3="2.19879"
                           yFract="0.26052014"
                           z3="8.7629"
                           zFract="0.39436994"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00053"
                           xFract="0.0000628"
                           y3="2.14274"
                           yFract="0.25387915"
                           z3="4.24926"
                           zFract="0.19123582"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06822"
                           xFract="0.24504976"
                           y3="6.29506"
                           yFract="0.74586019"
                           z3="6.46405"
                           zFract="0.29091134"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00965"
                           xFract="0.00114336"
                           y3="6.30257"
                           yFract="0.74675"
                           z3="4.21981"
                           zFract="0.18991044"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23832"
                           xFract="0.50217062"
                           y3="2.11177"
                           yFract="0.25020972"
                           z3="4.28625"
                           zFract="0.19290054"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31711"
                           xFract="0.74847275"
                           y3="0.05953"
                           yFract="0.00705332"
                           z3="8.54718"
                           zFract="0.38466157"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22335"
                           xFract="0.26343009"
                           y3="0.00131"
                           yFract="0.00015521"
                           z3="8.53094"
                           zFract="0.38393069"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20559"
                           xFract="0.49829265"
                           y3="4.20282"
                           yFract="0.49796445"
                           z3="6.41544"
                           zFract="0.28872367"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32197"
                           xFract="0.74904858"
                           y3="0.00929"
                           yFract="0.00110071"
                           z3="4.2424"
                           zFract="0.19092709"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03218"
                           xFract="0.0038128"
                           y3="2.00083"
                           yFract="0.23706517"
                           z3="6.34308"
                           zFract="0.28546715"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97622"
                           xFract="0.23414929"
                           y3="0.00884"
                           yFract="0.00104739"
                           z3="6.36509"
                           zFract="0.2864577"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01694"
                           xFract="0.00200711"
                           y3="0.00595"
                           yFract="0.00070498"
                           z3="4.17671"
                           zFract="0.18797075"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27678"
                           xFract="0.98066114"
                           y3="8.34606"
                           yFract="0.98886967"
                           z3="9.2277"
                           zFract="0.41528803"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14095"
                           xFract="0.25366706"
                           y3="2.0968"
                           yFract="0.24843602"
                           z3="4.26859"
                           zFract="0.19210576"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11596"
                           xFract="0.25070616"
                           y3="2.04915"
                           yFract="0.24279028"
                           z3="8.57875"
                           zFract="0.38608236"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20432"
                           xFract="0.49814218"
                           y3="2.01649"
                           yFract="0.23892062"
                           z3="6.48142"
                           zFract="0.29169307"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.5283"
                           xFract="0.77349526"
                           y3="0.09639"
                           yFract="0.01142062"
                           z3="6.45295"
                           zFract="0.29041179"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21828"
                           xFract="0.49979621"
                           y3="8.40093"
                           yFract="0.99537085"
                           z3="4.16487"
                           zFract="0.18743789"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33765"
                           xFract="0.51393957"
                           y3="8.43206"
                           yFract="0.99905924"
                           z3="8.77851"
                           zFract="0.39507246"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31788"
                           xFract="0.74856398"
                           y3="2.17486"
                           yFract="0.25768483"
                           z3="4.14162"
                           zFract="0.18639154"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37191"
                           xFract="0.75496564"
                           y3="2.26502"
                           yFract="0.2683673"
                           z3="8.76902"
                           zFract="0.39464536"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41515"
                           xFract="0.99705569"
                           y3="6.49169"
                           yFract="0.76915758"
                           z3="6.31481"
                           zFract="0.28419487"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08436"
                           xFract="0.24696209"
                           y3="4.20398"
                           yFract="0.4981019"
                           z3="6.29859"
                           zFract="0.2834649"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00201"
                           xFract="0.00023815"
                           y3="4.22296"
                           yFract="0.50035071"
                           z3="4.34565"
                           zFract="0.19557381"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37254"
                           xFract="0.99200711"
                           y3="4.24978"
                           yFract="0.50352844"
                           z3="8.48678"
                           zFract="0.38194329"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15537"
                           xFract="0.25537559"
                           y3="6.32908"
                           yFract="0.749891"
                           z3="4.19676"
                           zFract="0.18887309"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13451"
                           xFract="0.25290403"
                           y3="6.38606"
                           yFract="0.75664218"
                           z3="8.6004"
                           zFract="0.38705671"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2390"
                           xFract="0.50225118"
                           y3="6.40831"
                           yFract="0.75927844"
                           z3="6.40163"
                           zFract="0.28810216"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33867"
                           xFract="0.75102725"
                           y3="4.11896"
                           yFract="0.48802844"
                           z3="6.29776"
                           zFract="0.28342754"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21545"
                           xFract="0.4994609"
                           y3="4.24037"
                           yFract="0.50241351"
                           z3="4.24357"
                           zFract="0.19097975"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29419"
                           xFract="0.50879028"
                           y3="4.21713"
                           yFract="0.49965995"
                           z3="8.53975"
                           zFract="0.38432718"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29605"
                           xFract="0.74597749"
                           y3="6.25544"
                           yFract="0.74116588"
                           z3="4.28922"
                           zFract="0.1930342"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35191"
                           xFract="0.75259597"
                           y3="6.15458"
                           yFract="0.72921564"
                           z3="8.49298"
                           zFract="0.38222232"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.63">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.29329"
                           xFract="0.9826173"
                           y3="-0.03714"
                           yFract="-0.00440047"
                           z3="10.20957"
                           zFract="0.4594766"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33161"
                           xFract="0.75019076"
                           y3="4.20817"
                           yFract="0.49859834"
                           z3="4.23314"
                           zFract="0.19051035"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02309"
                           xFract="0.00273578"
                           y3="0.02927"
                           yFract="0.00346801"
                           z3="6.30218"
                           zFract="0.28362646"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34304"
                           xFract="0.75154502"
                           y3="4.19909"
                           yFract="0.49752251"
                           z3="8.52387"
                           zFract="0.38361251"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10996"
                           xFract="0.24999526"
                           y3="4.21789"
                           yFract="0.49975"
                           z3="4.23465"
                           zFract="0.19057831"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26193"
                           xFract="0.50496801"
                           y3="6.31883"
                           yFract="0.74867654"
                           z3="8.49869"
                           zFract="0.3824793"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1312"
                           xFract="0.25251185"
                           y3="8.43617"
                           yFract="0.99954621"
                           z3="4.21425"
                           zFract="0.18966022"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.2649"
                           xFract="0.50531991"
                           y3="2.12258"
                           yFract="0.25149052"
                           z3="8.56421"
                           zFract="0.38542799"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09179"
                           xFract="0.24784242"
                           y3="2.1156"
                           yFract="0.25066351"
                           z3="6.43565"
                           zFract="0.28963321"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22662"
                           xFract="0.50078436"
                           y3="6.31177"
                           yFract="0.74784005"
                           z3="4.25168"
                           zFract="0.19134473"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42866"
                           xFract="0.9986564"
                           y3="4.22183"
                           yFract="0.50021682"
                           z3="6.42001"
                           zFract="0.28892934"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09349"
                           xFract="0.24804384"
                           y3="4.21195"
                           yFract="0.49904621"
                           z3="8.66918"
                           zFract="0.39015212"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00503"
                           xFract="-0.00059597"
                           y3="6.24902"
                           yFract="0.74040521"
                           z3="8.75347"
                           zFract="0.39394554"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34949"
                           xFract="0.75230924"
                           y3="6.31982"
                           yFract="0.74879384"
                           z3="6.41198"
                           zFract="0.28856796"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37778"
                           xFract="0.75566114"
                           y3="2.12078"
                           yFract="0.25127725"
                           z3="6.47081"
                           zFract="0.29121557"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23542"
                           xFract="0.50182701"
                           y3="-0.00384"
                           yFract="-0.00045498"
                           z3="6.40239"
                           zFract="0.28813636"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01838"
                           xFract="0.00217773"
                           y3="2.19831"
                           yFract="0.26046327"
                           z3="8.76409"
                           zFract="0.39442349"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00079"
                           xFract="0.0000936"
                           y3="2.14237"
                           yFract="0.25383531"
                           z3="4.2494"
                           zFract="0.19124212"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.0681"
                           xFract="0.24503555"
                           y3="6.29538"
                           yFract="0.7458981"
                           z3="6.46445"
                           zFract="0.29092934"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.00984"
                           xFract="0.00116588"
                           y3="6.30303"
                           yFract="0.7468045"
                           z3="4.22022"
                           zFract="0.18992889"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23816"
                           xFract="0.50215166"
                           y3="2.11201"
                           yFract="0.25023815"
                           z3="4.28645"
                           zFract="0.19290954"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31777"
                           xFract="0.74855095"
                           y3="0.05973"
                           yFract="0.00707701"
                           z3="8.54756"
                           zFract="0.38467867"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22302"
                           xFract="0.263391"
                           y3="0.00127"
                           yFract="0.00015047"
                           z3="8.53113"
                           zFract="0.38393924"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20586"
                           xFract="0.49832464"
                           y3="4.20288"
                           yFract="0.49797156"
                           z3="6.41611"
                           zFract="0.28875383"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32259"
                           xFract="0.74912204"
                           y3="0.00919"
                           yFract="0.00108886"
                           z3="4.24252"
                           zFract="0.19093249"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03199"
                           xFract="0.00379028"
                           y3="2.0005"
                           yFract="0.23702607"
                           z3="6.34356"
                           zFract="0.28548875"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97506"
                           xFract="0.23401185"
                           y3="0.00896"
                           yFract="0.00106161"
                           z3="6.36538"
                           zFract="0.28647075"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01693"
                           xFract="0.00200592"
                           y3="0.00595"
                           yFract="0.00070498"
                           z3="4.17609"
                           zFract="0.18794284"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27606"
                           xFract="0.98057583"
                           y3="8.34533"
                           yFract="0.98878318"
                           z3="9.23039"
                           zFract="0.41540909"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14106"
                           xFract="0.25368009"
                           y3="2.09696"
                           yFract="0.24845498"
                           z3="4.26872"
                           zFract="0.19211161"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11606"
                           xFract="0.25071801"
                           y3="2.04873"
                           yFract="0.24274052"
                           z3="8.5794"
                           zFract="0.38611161"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20457"
                           xFract="0.4981718"
                           y3="2.01677"
                           yFract="0.23895379"
                           z3="6.48168"
                           zFract="0.29170477"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.5293"
                           xFract="0.77361374"
                           y3="0.0965"
                           yFract="0.01143365"
                           z3="6.45366"
                           zFract="0.29044374"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21855"
                           xFract="0.4998282"
                           y3="8.40099"
                           yFract="0.99537796"
                           z3="4.16566"
                           zFract="0.18747345"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33784"
                           xFract="0.51396209"
                           y3="8.43215"
                           yFract="0.99906991"
                           z3="8.77807"
                           zFract="0.39505266"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3178"
                           xFract="0.7485545"
                           y3="2.17476"
                           yFract="0.25767299"
                           z3="4.14169"
                           zFract="0.18639469"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37208"
                           xFract="0.75498578"
                           y3="2.26502"
                           yFract="0.2683673"
                           z3="8.77006"
                           zFract="0.39469217"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41516"
                           xFract="0.99705687"
                           y3="6.49274"
                           yFract="0.76928199"
                           z3="6.3154"
                           zFract="0.28422142"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08436"
                           xFract="0.24696209"
                           y3="4.20393"
                           yFract="0.49809597"
                           z3="6.29919"
                           zFract="0.2834919"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00196"
                           xFract="0.00023223"
                           y3="4.22301"
                           yFract="0.50035664"
                           z3="4.3464"
                           zFract="0.19560756"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37287"
                           xFract="0.99204621"
                           y3="4.24987"
                           yFract="0.5035391"
                           z3="8.48756"
                           zFract="0.3819784"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15548"
                           xFract="0.25538863"
                           y3="6.32888"
                           yFract="0.7498673"
                           z3="4.19673"
                           zFract="0.18887174"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13488"
                           xFract="0.25294787"
                           y3="6.38652"
                           yFract="0.75669668"
                           z3="8.60102"
                           zFract="0.38708461"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23887"
                           xFract="0.50223578"
                           y3="6.40808"
                           yFract="0.75925118"
                           z3="6.40179"
                           zFract="0.28810936"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33875"
                           xFract="0.75103673"
                           y3="4.11888"
                           yFract="0.48801896"
                           z3="6.29811"
                           zFract="0.28344329"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21554"
                           xFract="0.49947156"
                           y3="4.24033"
                           yFract="0.50240877"
                           z3="4.24361"
                           zFract="0.19098155"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2939"
                           xFract="0.50875592"
                           y3="4.21705"
                           yFract="0.49965047"
                           z3="8.54053"
                           zFract="0.38436229"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29604"
                           xFract="0.7459763"
                           y3="6.25545"
                           yFract="0.74116706"
                           z3="4.28949"
                           zFract="0.19304635"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35174"
                           xFract="0.75257583"
                           y3="6.15446"
                           yFract="0.72920142"
                           z3="8.49325"
                           zFract="0.38223447"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.64">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.28847"
                           xFract="0.98204621"
                           y3="-0.04002"
                           yFract="-0.00474171"
                           z3="10.21715"
                           zFract="0.45981773"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33182"
                           xFract="0.75021564"
                           y3="4.20832"
                           yFract="0.49861611"
                           z3="4.23381"
                           zFract="0.1905405"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02792"
                           xFract="0.00330806"
                           y3="0.02871"
                           yFract="0.00340166"
                           z3="6.3055"
                           zFract="0.28377588"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34183"
                           xFract="0.75140166"
                           y3="4.19866"
                           yFract="0.49747156"
                           z3="8.52607"
                           zFract="0.38371152"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.21777"
                           yFract="0.49973578"
                           z3="4.23558"
                           zFract="0.19062016"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26152"
                           xFract="0.50491943"
                           y3="6.31828"
                           yFract="0.74861137"
                           z3="8.49952"
                           zFract="0.38251665"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12949"
                           xFract="0.25230924"
                           y3="8.43625"
                           yFract="0.99955569"
                           z3="4.21502"
                           zFract="0.18969487"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26517"
                           xFract="0.5053519"
                           y3="2.12343"
                           yFract="0.25159123"
                           z3="8.56558"
                           zFract="0.38548965"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09207"
                           xFract="0.24787559"
                           y3="2.11461"
                           yFract="0.25054621"
                           z3="6.43665"
                           zFract="0.28967822"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22649"
                           xFract="0.50076896"
                           y3="6.31167"
                           yFract="0.7478282"
                           z3="4.25256"
                           zFract="0.19138434"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42894"
                           xFract="0.99868957"
                           y3="4.22178"
                           yFract="0.5002109"
                           z3="6.42228"
                           zFract="0.2890315"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09388"
                           xFract="0.24809005"
                           y3="4.21171"
                           yFract="0.49901777"
                           z3="8.67135"
                           zFract="0.39024977"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00511"
                           xFract="-0.00060545"
                           y3="6.24951"
                           yFract="0.74046327"
                           z3="8.75686"
                           zFract="0.39409811"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.34991"
                           xFract="0.752359"
                           y3="6.31966"
                           yFract="0.74877488"
                           z3="6.41274"
                           zFract="0.28860216"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3775"
                           xFract="0.75562796"
                           y3="2.12162"
                           yFract="0.25137678"
                           z3="6.47142"
                           zFract="0.29124302"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23646"
                           xFract="0.50195024"
                           y3="-0.00399"
                           yFract="-0.00047275"
                           z3="6.40248"
                           zFract="0.28814041"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01862"
                           xFract="0.00220616"
                           y3="2.19686"
                           yFract="0.26029147"
                           z3="8.76769"
                           zFract="0.39458551"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00158"
                           xFract="0.0001872"
                           y3="2.14127"
                           yFract="0.25370498"
                           z3="4.2498"
                           zFract="0.19126013"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06771"
                           xFract="0.24498934"
                           y3="6.29634"
                           yFract="0.74601185"
                           z3="6.46566"
                           zFract="0.2909838"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01044"
                           xFract="0.00123697"
                           y3="6.30443"
                           yFract="0.74697038"
                           z3="4.22145"
                           zFract="0.18998425"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23769"
                           xFract="0.50209597"
                           y3="2.11273"
                           yFract="0.25032346"
                           z3="4.28705"
                           zFract="0.19293654"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.31974"
                           xFract="0.74878436"
                           y3="0.06033"
                           yFract="0.0071481"
                           z3="8.54871"
                           zFract="0.38473042"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22203"
                           xFract="0.2632737"
                           y3="0.00114"
                           yFract="0.00013507"
                           z3="8.53171"
                           zFract="0.38396535"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20666"
                           xFract="0.49841943"
                           y3="4.20308"
                           yFract="0.49799526"
                           z3="6.41811"
                           zFract="0.28884383"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32446"
                           xFract="0.7493436"
                           y3="0.00891"
                           yFract="0.00105569"
                           z3="4.24287"
                           zFract="0.19094824"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.0314"
                           xFract="0.00372038"
                           y3="1.9995"
                           yFract="0.23690758"
                           z3="6.34498"
                           zFract="0.28555266"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.97158"
                           xFract="0.23359953"
                           y3="0.00932"
                           yFract="0.00110427"
                           z3="6.36625"
                           zFract="0.2865099"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01691"
                           xFract="0.00200355"
                           y3="0.00595"
                           yFract="0.00070498"
                           z3="4.17421"
                           zFract="0.18785824"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2739"
                           xFract="0.98031991"
                           y3="8.34313"
                           yFract="0.98852251"
                           z3="9.23847"
                           zFract="0.41577273"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14141"
                           xFract="0.25372156"
                           y3="2.09745"
                           yFract="0.24851303"
                           z3="4.26913"
                           zFract="0.19213006"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11634"
                           xFract="0.25075118"
                           y3="2.04747"
                           yFract="0.24259123"
                           z3="8.58135"
                           zFract="0.38619937"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20531"
                           xFract="0.49825948"
                           y3="2.01759"
                           yFract="0.23905095"
                           z3="6.48246"
                           zFract="0.29173987"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.53231"
                           xFract="0.77397038"
                           y3="0.09684"
                           yFract="0.01147393"
                           z3="6.45582"
                           zFract="0.29054095"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21936"
                           xFract="0.49992417"
                           y3="8.40115"
                           yFract="0.99539692"
                           z3="4.16803"
                           zFract="0.18758011"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3384"
                           xFract="0.51402844"
                           y3="8.43241"
                           yFract="0.99910071"
                           z3="8.77676"
                           zFract="0.3949937"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31758"
                           xFract="0.74852844"
                           y3="2.17447"
                           yFract="0.25763863"
                           z3="4.14192"
                           zFract="0.18640504"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37261"
                           xFract="0.75504858"
                           y3="2.26502"
                           yFract="0.2683673"
                           z3="8.77318"
                           zFract="0.39483258"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.4152"
                           xFract="0.99706161"
                           y3="6.49588"
                           yFract="0.76965403"
                           z3="6.31716"
                           zFract="0.28430063"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08436"
                           xFract="0.24696209"
                           y3="4.20376"
                           yFract="0.49807583"
                           z3="6.30096"
                           zFract="0.28357156"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.0018"
                           xFract="0.00021327"
                           y3="4.22318"
                           yFract="0.50037678"
                           z3="4.34865"
                           zFract="0.19570882"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37386"
                           xFract="0.99216351"
                           y3="4.25013"
                           yFract="0.50356991"
                           z3="8.48989"
                           zFract="0.38208326"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.1558"
                           xFract="0.25542654"
                           y3="6.3283"
                           yFract="0.74979858"
                           z3="4.19666"
                           zFract="0.18886859"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13601"
                           xFract="0.25308175"
                           y3="6.3879"
                           yFract="0.75686019"
                           z3="8.60289"
                           zFract="0.38716877"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23847"
                           xFract="0.50218839"
                           y3="6.40738"
                           yFract="0.75916825"
                           z3="6.40226"
                           zFract="0.28813051"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33897"
                           xFract="0.7510628"
                           y3="4.11865"
                           yFract="0.48799171"
                           z3="6.29914"
                           zFract="0.28348965"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21582"
                           xFract="0.49950474"
                           y3="4.24021"
                           yFract="0.50239455"
                           z3="4.24373"
                           zFract="0.19098695"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29303"
                           xFract="0.50865284"
                           y3="4.21682"
                           yFract="0.49962322"
                           z3="8.54288"
                           zFract="0.38446805"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29603"
                           xFract="0.74597512"
                           y3="6.25548"
                           yFract="0.74117062"
                           z3="4.2903"
                           zFract="0.19308281"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35123"
                           xFract="0.7525154"
                           y3="6.15412"
                           yFract="0.72916114"
                           z3="8.49403"
                           zFract="0.38226958"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.65">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27882"
                           xFract="0.98090284"
                           y3="-0.04578"
                           yFract="-0.00542417"
                           z3="10.23232"
                           zFract="0.46050045"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33224"
                           xFract="0.7502654"
                           y3="4.20864"
                           yFract="0.49865403"
                           z3="4.23516"
                           zFract="0.19060126"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03758"
                           xFract="0.00445261"
                           y3="0.02758"
                           yFract="0.00326777"
                           z3="6.31214"
                           zFract="0.28407471"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3394"
                           xFract="0.75111374"
                           y3="4.19779"
                           yFract="0.49736848"
                           z3="8.53045"
                           zFract="0.38390864"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11008"
                           xFract="0.25000948"
                           y3="4.21754"
                           yFract="0.49970853"
                           z3="4.23744"
                           zFract="0.19070387"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2607"
                           xFract="0.50482227"
                           y3="6.31719"
                           yFract="0.74848223"
                           z3="8.50118"
                           zFract="0.38259136"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12607"
                           xFract="0.25190403"
                           y3="8.43643"
                           yFract="0.99957701"
                           z3="4.21656"
                           zFract="0.18976418"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26572"
                           xFract="0.50541706"
                           y3="2.12512"
                           yFract="0.25179147"
                           z3="8.56831"
                           zFract="0.38561251"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09264"
                           xFract="0.24794313"
                           y3="2.11263"
                           yFract="0.25031161"
                           z3="6.43867"
                           zFract="0.28976913"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22623"
                           xFract="0.50073815"
                           y3="6.31147"
                           yFract="0.7478045"
                           z3="4.25433"
                           zFract="0.191464"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42949"
                           xFract="0.99875474"
                           y3="4.22169"
                           yFract="0.50020024"
                           z3="6.42682"
                           zFract="0.28923582"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09466"
                           xFract="0.24818246"
                           y3="4.21121"
                           yFract="0.49895853"
                           z3="8.67569"
                           zFract="0.39044509"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00528"
                           xFract="-0.00062559"
                           y3="6.25048"
                           yFract="0.7405782"
                           z3="8.76365"
                           zFract="0.39440369"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35076"
                           xFract="0.75245972"
                           y3="6.31933"
                           yFract="0.74873578"
                           z3="6.41426"
                           zFract="0.28867057"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37694"
                           xFract="0.75556161"
                           y3="2.1233"
                           yFract="0.25157583"
                           z3="6.47264"
                           zFract="0.29129793"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23853"
                           xFract="0.5021955"
                           y3="-0.0043"
                           yFract="-0.00050948"
                           z3="6.40267"
                           zFract="0.28814896"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01911"
                           xFract="0.00226422"
                           y3="2.19395"
                           yFract="0.25994668"
                           z3="8.77488"
                           zFract="0.39490909"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00315"
                           xFract="0.00037322"
                           y3="2.13906"
                           yFract="0.25344313"
                           z3="4.25062"
                           zFract="0.19129703"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06694"
                           xFract="0.2448981"
                           y3="6.29826"
                           yFract="0.74623934"
                           z3="6.46806"
                           zFract="0.29109181"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01162"
                           xFract="0.00137678"
                           y3="6.30724"
                           yFract="0.74730332"
                           z3="4.22393"
                           zFract="0.19009586"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23674"
                           xFract="0.50198341"
                           y3="2.11418"
                           yFract="0.25049526"
                           z3="4.28826"
                           zFract="0.192991"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32368"
                           xFract="0.74925118"
                           y3="0.06153"
                           yFract="0.00729028"
                           z3="8.55101"
                           zFract="0.38483393"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22006"
                           xFract="0.26304028"
                           y3="0.00088"
                           yFract="0.00010427"
                           z3="8.53286"
                           zFract="0.3840171"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20828"
                           xFract="0.49861137"
                           y3="4.20348"
                           yFract="0.49804265"
                           z3="6.42211"
                           zFract="0.28902385"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3282"
                           xFract="0.74978673"
                           y3="0.00834"
                           yFract="0.00098815"
                           z3="4.24358"
                           zFract="0.1909802"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03024"
                           xFract="0.00358294"
                           y3="1.99751"
                           yFract="0.2366718"
                           z3="6.34784"
                           zFract="0.28568137"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96462"
                           xFract="0.23277488"
                           y3="0.01004"
                           yFract="0.00118957"
                           z3="6.36799"
                           zFract="0.28658821"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01687"
                           xFract="0.00199882"
                           y3="0.00595"
                           yFract="0.00070498"
                           z3="4.17046"
                           zFract="0.18768947"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26958"
                           xFract="0.97980806"
                           y3="8.33875"
                           yFract="0.98800355"
                           z3="9.25463"
                           zFract="0.4165"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14211"
                           xFract="0.2538045"
                           y3="2.09843"
                           yFract="0.24862915"
                           z3="4.26993"
                           zFract="0.19216607"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11691"
                           xFract="0.25081872"
                           y3="2.04494"
                           yFract="0.24229147"
                           z3="8.58524"
                           zFract="0.38637444"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2068"
                           xFract="0.49843602"
                           y3="2.01925"
                           yFract="0.23924763"
                           z3="6.48404"
                           zFract="0.29181098"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.53832"
                           xFract="0.77468246"
                           y3="0.09751"
                           yFract="0.01155332"
                           z3="6.46012"
                           zFract="0.29073447"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22098"
                           xFract="0.50011611"
                           y3="8.40149"
                           yFract="0.9954372"
                           z3="4.17277"
                           zFract="0.18779343"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33952"
                           xFract="0.51416114"
                           y3="8.43294"
                           yFract="0.99916351"
                           z3="8.77414"
                           zFract="0.39487579"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31714"
                           xFract="0.7484763"
                           y3="2.17387"
                           yFract="0.25756754"
                           z3="4.14237"
                           zFract="0.18642529"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37366"
                           xFract="0.75517299"
                           y3="2.26502"
                           yFract="0.2683673"
                           z3="8.77942"
                           zFract="0.39511341"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41527"
                           xFract="0.99706991"
                           y3="6.50216"
                           yFract="0.7703981"
                           z3="6.32069"
                           zFract="0.2844595"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08436"
                           xFract="0.24696209"
                           y3="4.20342"
                           yFract="0.49803555"
                           z3="6.30451"
                           zFract="0.28373132"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00149"
                           xFract="0.00017654"
                           y3="4.22351"
                           yFract="0.50041588"
                           z3="4.35316"
                           zFract="0.19591179"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37585"
                           xFract="0.99239929"
                           y3="4.25066"
                           yFract="0.5036327"
                           z3="8.49456"
                           zFract="0.38229343"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15643"
                           xFract="0.25550118"
                           y3="6.32714"
                           yFract="0.74966114"
                           z3="4.19653"
                           zFract="0.18886274"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13826"
                           xFract="0.25334834"
                           y3="6.39065"
                           yFract="0.75718602"
                           z3="8.60664"
                           zFract="0.38733753"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23769"
                           xFract="0.50209597"
                           y3="6.40598"
                           yFract="0.75900237"
                           z3="6.40321"
                           zFract="0.28817327"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33942"
                           xFract="0.75111611"
                           y3="4.11818"
                           yFract="0.48793602"
                           z3="6.3012"
                           zFract="0.28358236"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21636"
                           xFract="0.49956872"
                           y3="4.23997"
                           yFract="0.50236611"
                           z3="4.24398"
                           zFract="0.1909982"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29129"
                           xFract="0.50844668"
                           y3="4.21635"
                           yFract="0.49956754"
                           z3="8.54758"
                           zFract="0.38467957"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29599"
                           xFract="0.74597038"
                           y3="6.25554"
                           yFract="0.74117773"
                           z3="4.29191"
                           zFract="0.19315527"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3502"
                           xFract="0.75239336"
                           y3="6.15343"
                           yFract="0.72907938"
                           z3="8.49561"
                           zFract="0.38234068"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.66">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.28375"
                           xFract="0.98148697"
                           y3="-0.04283"
                           yFract="-0.00507464"
                           z3="10.22456"
                           zFract="0.46015122"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33203"
                           xFract="0.75024052"
                           y3="4.20848"
                           yFract="0.49863507"
                           z3="4.23447"
                           zFract="0.19057021"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03263"
                           xFract="0.00386611"
                           y3="0.02816"
                           yFract="0.00333649"
                           z3="6.30874"
                           zFract="0.28392169"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34064"
                           xFract="0.75126066"
                           y3="4.19823"
                           yFract="0.49742062"
                           z3="8.52821"
                           zFract="0.38380783"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.11004"
                           xFract="0.25000474"
                           y3="4.21766"
                           yFract="0.49972275"
                           z3="4.23649"
                           zFract="0.19066112"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26112"
                           xFract="0.50487204"
                           y3="6.31775"
                           yFract="0.74854858"
                           z3="8.50033"
                           zFract="0.38255311"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12782"
                           xFract="0.25211137"
                           y3="8.43634"
                           yFract="0.99956635"
                           z3="4.21577"
                           zFract="0.18972862"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26544"
                           xFract="0.50538389"
                           y3="2.12425"
                           yFract="0.25168839"
                           z3="8.56691"
                           zFract="0.3855495"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09235"
                           xFract="0.24790877"
                           y3="2.11364"
                           yFract="0.25043128"
                           z3="6.43764"
                           zFract="0.28972277"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22636"
                           xFract="0.50075355"
                           y3="6.31157"
                           yFract="0.74781635"
                           z3="4.25342"
                           zFract="0.19142304"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42921"
                           xFract="0.99872156"
                           y3="4.22174"
                           yFract="0.50020616"
                           z3="6.42449"
                           zFract="0.28913096"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09426"
                           xFract="0.24813507"
                           y3="4.21146"
                           yFract="0.49898815"
                           z3="8.67347"
                           zFract="0.39034518"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00519"
                           xFract="-0.00061493"
                           y3="6.24998"
                           yFract="0.74051896"
                           z3="8.76017"
                           zFract="0.39424707"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35033"
                           xFract="0.75240877"
                           y3="6.3195"
                           yFract="0.74875592"
                           z3="6.41348"
                           zFract="0.28863546"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37723"
                           xFract="0.75559597"
                           y3="2.12244"
                           yFract="0.25147393"
                           z3="6.47202"
                           zFract="0.29127003"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23747"
                           xFract="0.50206991"
                           y3="-0.00415"
                           yFract="-0.00049171"
                           z3="6.40257"
                           zFract="0.28814446"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01886"
                           xFract="0.0022346"
                           y3="2.19544"
                           yFract="0.26012322"
                           z3="8.7712"
                           zFract="0.39474347"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00235"
                           xFract="0.00027844"
                           y3="2.14019"
                           yFract="0.25357701"
                           z3="4.2502"
                           zFract="0.19127813"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06734"
                           xFract="0.2449455"
                           y3="6.29728"
                           yFract="0.74612322"
                           z3="6.46683"
                           zFract="0.29103645"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01101"
                           xFract="0.0013045"
                           y3="6.3058"
                           yFract="0.7471327"
                           z3="4.22266"
                           zFract="0.1900387"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23722"
                           xFract="0.50204028"
                           y3="2.11344"
                           yFract="0.25040758"
                           z3="4.28764"
                           zFract="0.1929631"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32166"
                           xFract="0.74901185"
                           y3="0.06092"
                           yFract="0.00721801"
                           z3="8.54983"
                           zFract="0.38478083"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22107"
                           xFract="0.26315995"
                           y3="0.00101"
                           yFract="0.00011967"
                           z3="8.53227"
                           zFract="0.38399055"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20745"
                           xFract="0.49851303"
                           y3="4.20327"
                           yFract="0.49801777"
                           z3="6.42007"
                           zFract="0.28893204"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32629"
                           xFract="0.74956043"
                           y3="0.00863"
                           yFract="0.00102251"
                           z3="4.24322"
                           zFract="0.190964"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03083"
                           xFract="0.00365284"
                           y3="1.99853"
                           yFract="0.23679265"
                           z3="6.34638"
                           zFract="0.28561566"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96818"
                           xFract="0.23319668"
                           y3="0.00967"
                           yFract="0.00114573"
                           z3="6.3671"
                           zFract="0.28654815"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01689"
                           xFract="0.00200118"
                           y3="0.00595"
                           yFract="0.00070498"
                           z3="4.17238"
                           zFract="0.18777588"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27179"
                           xFract="0.98006991"
                           y3="8.34099"
                           yFract="0.98826896"
                           z3="9.24636"
                           zFract="0.41612781"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14175"
                           xFract="0.25376185"
                           y3="2.09793"
                           yFract="0.24856991"
                           z3="4.26952"
                           zFract="0.19214761"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11662"
                           xFract="0.25078436"
                           y3="2.04623"
                           yFract="0.24244431"
                           z3="8.58325"
                           zFract="0.38628488"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20604"
                           xFract="0.49834597"
                           y3="2.0184"
                           yFract="0.23914692"
                           z3="6.48323"
                           zFract="0.29177453"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.53525"
                           xFract="0.77431872"
                           y3="0.09717"
                           yFract="0.01151303"
                           z3="6.45792"
                           zFract="0.29063546"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22015"
                           xFract="0.50001777"
                           y3="8.40132"
                           yFract="0.99541706"
                           z3="4.17034"
                           zFract="0.18768407"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33895"
                           xFract="0.5140936"
                           y3="8.43267"
                           yFract="0.99913152"
                           z3="8.77548"
                           zFract="0.39493609"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31737"
                           xFract="0.74850355"
                           y3="2.17418"
                           yFract="0.25760427"
                           z3="4.14214"
                           zFract="0.18641494"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37312"
                           xFract="0.755109"
                           y3="2.26502"
                           yFract="0.2683673"
                           z3="8.77623"
                           zFract="0.39496985"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41524"
                           xFract="0.99706635"
                           y3="6.49895"
                           yFract="0.77001777"
                           z3="6.31889"
                           zFract="0.28437849"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08436"
                           xFract="0.24696209"
                           y3="4.20359"
                           yFract="0.49805569"
                           z3="6.3027"
                           zFract="0.28364986"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00165"
                           xFract="0.0001955"
                           y3="4.22334"
                           yFract="0.50039573"
                           z3="4.35085"
                           zFract="0.19580783"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37483"
                           xFract="0.99227844"
                           y3="4.25039"
                           yFract="0.50360071"
                           z3="8.49217"
                           zFract="0.38218587"/>
                     <atom elementType="O"
                           id="a69"
                           x3="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="6.32774"
                           yFract="0.74973223"
                           z3="4.1966"
                           zFract="0.18886589"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13711"
                           xFract="0.25321209"
                           y3="6.38924"
                           yFract="0.75701896"
                           z3="8.60472"
                           zFract="0.38725113"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23809"
                           xFract="0.50214336"
                           y3="6.4067"
                           yFract="0.75908768"
                           z3="6.40273"
                           zFract="0.28815167"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33919"
                           xFract="0.75108886"
                           y3="4.11842"
                           yFract="0.48796445"
                           z3="6.30015"
                           zFract="0.2835351"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21608"
                           xFract="0.49953555"
                           y3="4.24009"
                           yFract="0.50238033"
                           z3="4.24385"
                           zFract="0.19099235"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29218"
                           xFract="0.50855213"
                           y3="4.21659"
                           yFract="0.49959597"
                           z3="8.54518"
                           zFract="0.38457156"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29601"
                           xFract="0.74597275"
                           y3="6.25551"
                           yFract="0.74117417"
                           z3="4.29108"
                           zFract="0.19311791"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35072"
                           xFract="0.75245498"
                           y3="6.15378"
                           yFract="0.72912085"
                           z3="8.4948"
                           zFract="0.38230423"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a50" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.67">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.28186"
                           xFract="0.98126303"
                           y3="-0.04421"
                           yFract="-0.00523815"
                           z3="10.22648"
                           zFract="0.46023762"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33211"
                           xFract="0.75025"
                           y3="4.20854"
                           yFract="0.49864218"
                           z3="4.23437"
                           zFract="0.19056571"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03124"
                           xFract="0.00370142"
                           y3="0.02842"
                           yFract="0.0033673"
                           z3="6.31037"
                           zFract="0.28399505"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34013"
                           xFract="0.75120024"
                           y3="4.19807"
                           yFract="0.49740166"
                           z3="8.52925"
                           zFract="0.38385464"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10985"
                           xFract="0.24998223"
                           y3="4.21767"
                           yFract="0.49972393"
                           z3="4.23706"
                           zFract="0.19068677"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26095"
                           xFract="0.5048519"
                           y3="6.31718"
                           yFract="0.74848104"
                           z3="8.50064"
                           zFract="0.38256706"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12678"
                           xFract="0.25198815"
                           y3="8.43645"
                           yFract="0.99957938"
                           z3="4.21603"
                           zFract="0.18974032"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26532"
                           xFract="0.50536967"
                           y3="2.12489"
                           yFract="0.25176422"
                           z3="8.56756"
                           zFract="0.38557876"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09217"
                           xFract="0.24788744"
                           y3="2.11345"
                           yFract="0.25040877"
                           z3="6.43808"
                           zFract="0.28974257"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22642"
                           xFract="0.50076066"
                           y3="6.31146"
                           yFract="0.74780332"
                           z3="4.25363"
                           zFract="0.19143249"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42935"
                           xFract="0.99873815"
                           y3="4.22151"
                           yFract="0.50017891"
                           z3="6.42547"
                           zFract="0.28917507"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09434"
                           xFract="0.24814455"
                           y3="4.21135"
                           yFract="0.49897512"
                           z3="8.67426"
                           zFract="0.39038074"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00503"
                           xFract="-0.00059597"
                           y3="6.24992"
                           yFract="0.74051185"
                           z3="8.76155"
                           zFract="0.39430918"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35063"
                           xFract="0.75244431"
                           y3="6.31964"
                           yFract="0.74877251"
                           z3="6.4138"
                           zFract="0.28864986"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37757"
                           xFract="0.75563626"
                           y3="2.12234"
                           yFract="0.25146209"
                           z3="6.47218"
                           zFract="0.29127723"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2380"
                           xFract="0.5021327"
                           y3="-0.00419"
                           yFract="-0.00049645"
                           z3="6.4027"
                           zFract="0.28815032"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01921"
                           xFract="0.00227607"
                           y3="2.19504"
                           yFract="0.26007583"
                           z3="8.77246"
                           zFract="0.39480018"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00245"
                           xFract="0.00029028"
                           y3="2.13955"
                           yFract="0.25350118"
                           z3="4.25072"
                           zFract="0.19130153"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06727"
                           xFract="0.2449372"
                           y3="6.2972"
                           yFract="0.74611374"
                           z3="6.46729"
                           zFract="0.29105716"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01106"
                           xFract="0.00131043"
                           y3="6.30644"
                           yFract="0.74720853"
                           z3="4.22335"
                           zFract="0.19006976"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23706"
                           xFract="0.50202133"
                           y3="2.11393"
                           yFract="0.25046564"
                           z3="4.28779"
                           zFract="0.19296985"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32322"
                           xFract="0.74919668"
                           y3="0.06132"
                           yFract="0.0072654"
                           z3="8.55007"
                           zFract="0.38479163"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22053"
                           xFract="0.26309597"
                           y3="0.0010"
                           yFract="0.00011848"
                           z3="8.53277"
                           zFract="0.38401305"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20743"
                           xFract="0.49851066"
                           y3="4.20346"
                           yFract="0.49804028"
                           z3="6.42106"
                           zFract="0.2889766"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3275"
                           xFract="0.74970379"
                           y3="0.00861"
                           yFract="0.00102014"
                           z3="4.24367"
                           zFract="0.19098425"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03103"
                           xFract="0.00367654"
                           y3="1.99817"
                           yFract="0.23675"
                           z3="6.34699"
                           zFract="0.28564311"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96813"
                           xFract="0.23319076"
                           y3="0.00987"
                           yFract="0.00116943"
                           z3="6.36757"
                           zFract="0.28656931"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01677"
                           xFract="0.00198697"
                           y3="0.00586"
                           yFract="0.00069431"
                           z3="4.17138"
                           zFract="0.18773087"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.27016"
                           xFract="0.97987678"
                           y3="8.34003"
                           yFract="0.98815521"
                           z3="9.25134"
                           zFract="0.41635194"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14221"
                           xFract="0.25381635"
                           y3="2.09852"
                           yFract="0.24863981"
                           z3="4.26966"
                           zFract="0.19215392"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11646"
                           xFract="0.2507654"
                           y3="2.04563"
                           yFract="0.24237322"
                           z3="8.58387"
                           zFract="0.38631278"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20645"
                           xFract="0.49839455"
                           y3="2.01862"
                           yFract="0.23917299"
                           z3="6.48345"
                           zFract="0.29178443"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.53746"
                           xFract="0.77458057"
                           y3="0.09717"
                           yFract="0.01151303"
                           z3="6.45884"
                           zFract="0.29067687"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22077"
                           xFract="0.50009123"
                           y3="8.40122"
                           yFract="0.99540521"
                           z3="4.17152"
                           zFract="0.18773717"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33911"
                           xFract="0.51411256"
                           y3="8.43269"
                           yFract="0.99913389"
                           z3="8.77449"
                           zFract="0.39489154"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31724"
                           xFract="0.74848815"
                           y3="2.17402"
                           yFract="0.25758531"
                           z3="4.14231"
                           zFract="0.18642259"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37347"
                           xFract="0.75515047"
                           y3="2.26489"
                           yFract="0.2683519"
                           z3="8.77751"
                           zFract="0.39502745"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41573"
                           xFract="0.99712441"
                           y3="6.49988"
                           yFract="0.77012796"
                           z3="6.31974"
                           zFract="0.28441674"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08426"
                           xFract="0.24695024"
                           y3="4.2037"
                           yFract="0.49806872"
                           z3="6.30347"
                           zFract="0.28368452"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00194"
                           xFract="0.00022986"
                           y3="4.22355"
                           yFract="0.50042062"
                           z3="4.35152"
                           zFract="0.19583798"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37523"
                           xFract="0.99232583"
                           y3="4.25052"
                           yFract="0.50361611"
                           z3="8.49313"
                           zFract="0.38222907"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15651"
                           xFract="0.25551066"
                           y3="6.32739"
                           yFract="0.74969076"
                           z3="4.1966"
                           zFract="0.18886589"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13735"
                           xFract="0.25324052"
                           y3="6.38983"
                           yFract="0.75708886"
                           z3="8.60533"
                           zFract="0.38727858"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23804"
                           xFract="0.50213744"
                           y3="6.40641"
                           yFract="0.75905332"
                           z3="6.40279"
                           zFract="0.28815437"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33915"
                           xFract="0.75108412"
                           y3="4.11832"
                           yFract="0.48795261"
                           z3="6.30074"
                           zFract="0.28356166"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21607"
                           xFract="0.49953436"
                           y3="4.23976"
                           yFract="0.50234123"
                           z3="4.24387"
                           zFract="0.19099325"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2919"
                           xFract="0.50851896"
                           y3="4.21653"
                           yFract="0.49958886"
                           z3="8.54619"
                           zFract="0.38461701"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29589"
                           xFract="0.74595853"
                           y3="6.25574"
                           yFract="0.74120142"
                           z3="4.2915"
                           zFract="0.19313681"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35043"
                           xFract="0.75242062"
                           y3="6.15383"
                           yFract="0.72912678"
                           z3="8.49509"
                           zFract="0.38231728"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.68">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.28137"
                           xFract="0.98120498"
                           y3="-0.04457"
                           yFract="-0.00528081"
                           z3="10.22698"
                           zFract="0.46026013"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33213"
                           xFract="0.75025237"
                           y3="4.20856"
                           yFract="0.49864455"
                           z3="4.23434"
                           zFract="0.19056436"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03088"
                           xFract="0.00365877"
                           y3="0.02848"
                           yFract="0.00337441"
                           z3="6.3108"
                           zFract="0.2840144"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33999"
                           xFract="0.75118365"
                           y3="4.19803"
                           yFract="0.49739692"
                           z3="8.52951"
                           zFract="0.38386634"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10981"
                           xFract="0.24997749"
                           y3="4.21767"
                           yFract="0.49972393"
                           z3="4.23721"
                           zFract="0.19069352"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.2609"
                           xFract="0.50484597"
                           y3="6.31703"
                           yFract="0.74846327"
                           z3="8.50073"
                           zFract="0.38257111"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12651"
                           xFract="0.25195616"
                           y3="8.43647"
                           yFract="0.99958175"
                           z3="4.2161"
                           zFract="0.18974347"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26529"
                           xFract="0.50536611"
                           y3="2.12505"
                           yFract="0.25178318"
                           z3="8.56773"
                           zFract="0.38558641"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09212"
                           xFract="0.24788152"
                           y3="2.1134"
                           yFract="0.25040284"
                           z3="6.43819"
                           zFract="0.28974752"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22644"
                           xFract="0.50076303"
                           y3="6.31143"
                           yFract="0.74779976"
                           z3="4.25369"
                           zFract="0.19143519"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42939"
                           xFract="0.99874289"
                           y3="4.22145"
                           yFract="0.5001718"
                           z3="6.42572"
                           zFract="0.28918632"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09436"
                           xFract="0.24814692"
                           y3="4.21132"
                           yFract="0.49897156"
                           z3="8.67447"
                           zFract="0.39039019"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00499"
                           xFract="-0.00059123"
                           y3="6.24991"
                           yFract="0.74051066"
                           z3="8.76191"
                           zFract="0.39432538"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35071"
                           xFract="0.75245379"
                           y3="6.31967"
                           yFract="0.74877607"
                           z3="6.41389"
                           zFract="0.28865392"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37766"
                           xFract="0.75564692"
                           y3="2.12232"
                           yFract="0.25145972"
                           z3="6.47222"
                           zFract="0.29127903"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23813"
                           xFract="0.5021481"
                           y3="-0.00421"
                           yFract="-0.00049882"
                           z3="6.40273"
                           zFract="0.28815167"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01929"
                           xFract="0.00228555"
                           y3="2.19494"
                           yFract="0.26006398"
                           z3="8.77279"
                           zFract="0.39481503"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00247"
                           xFract="0.00029265"
                           y3="2.13938"
                           yFract="0.25348104"
                           z3="4.25085"
                           zFract="0.19130738"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06726"
                           xFract="0.24493602"
                           y3="6.29719"
                           yFract="0.74611256"
                           z3="6.46742"
                           zFract="0.29106301"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01107"
                           xFract="0.00131161"
                           y3="6.3066"
                           yFract="0.74722749"
                           z3="4.22353"
                           zFract="0.19007786"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23701"
                           xFract="0.5020154"
                           y3="2.11406"
                           yFract="0.25048104"
                           z3="4.28782"
                           zFract="0.1929712"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32362"
                           xFract="0.74924408"
                           y3="0.06143"
                           yFract="0.00727844"
                           z3="8.55013"
                           zFract="0.38479433"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22039"
                           xFract="0.26307938"
                           y3="0.0010"
                           yFract="0.00011848"
                           z3="8.5329"
                           zFract="0.3840189"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20742"
                           xFract="0.49850948"
                           y3="4.20351"
                           yFract="0.49804621"
                           z3="6.42132"
                           zFract="0.2889883"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32782"
                           xFract="0.74974171"
                           y3="0.00861"
                           yFract="0.00102014"
                           z3="4.24379"
                           zFract="0.19098965"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03108"
                           xFract="0.00368246"
                           y3="1.99808"
                           yFract="0.23673934"
                           z3="6.34714"
                           zFract="0.28564986"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96812"
                           xFract="0.23318957"
                           y3="0.00992"
                           yFract="0.00117536"
                           z3="6.36769"
                           zFract="0.28657471"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01674"
                           xFract="0.00198341"
                           y3="0.00584"
                           yFract="0.00069194"
                           z3="4.17111"
                           zFract="0.18771872"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26974"
                           xFract="0.97982701"
                           y3="8.33978"
                           yFract="0.98812559"
                           z3="9.25264"
                           zFract="0.41641044"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14233"
                           xFract="0.25383057"
                           y3="2.09867"
                           yFract="0.24865758"
                           z3="4.26969"
                           zFract="0.19215527"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11642"
                           xFract="0.25076066"
                           y3="2.04547"
                           yFract="0.24235427"
                           z3="8.58403"
                           zFract="0.38631998"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20656"
                           xFract="0.49840758"
                           y3="2.01867"
                           yFract="0.23917891"
                           z3="6.48351"
                           zFract="0.29178713"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.53803"
                           xFract="0.7746481"
                           y3="0.09717"
                           yFract="0.01151303"
                           z3="6.45909"
                           zFract="0.29068812"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22094"
                           xFract="0.50011137"
                           y3="8.40119"
                           yFract="0.99540166"
                           z3="4.17183"
                           zFract="0.18775113"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33915"
                           xFract="0.5141173"
                           y3="8.43269"
                           yFract="0.99913389"
                           z3="8.77423"
                           zFract="0.39487984"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31721"
                           xFract="0.7484846"
                           y3="2.17398"
                           yFract="0.25758057"
                           z3="4.14236"
                           zFract="0.18642484"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37356"
                           xFract="0.75516114"
                           y3="2.26485"
                           yFract="0.26834716"
                           z3="8.77785"
                           zFract="0.39504275"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41585"
                           xFract="0.99713863"
                           y3="6.50012"
                           yFract="0.7701564"
                           z3="6.31996"
                           zFract="0.28442664"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08424"
                           xFract="0.24694787"
                           y3="4.20373"
                           yFract="0.49807227"
                           z3="6.30368"
                           zFract="0.28369397"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00201"
                           xFract="0.00023815"
                           y3="4.2236"
                           yFract="0.50042654"
                           z3="4.35169"
                           zFract="0.19584563"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37534"
                           xFract="0.99233886"
                           y3="4.25055"
                           yFract="0.50361967"
                           z3="8.49337"
                           zFract="0.38223987"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15661"
                           xFract="0.25552251"
                           y3="6.3273"
                           yFract="0.74968009"
                           z3="4.1966"
                           zFract="0.18886589"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13741"
                           xFract="0.25324763"
                           y3="6.38998"
                           yFract="0.75710664"
                           z3="8.60549"
                           zFract="0.38728578"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23802"
                           xFract="0.50213507"
                           y3="6.40634"
                           yFract="0.75904502"
                           z3="6.4028"
                           zFract="0.28815482"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33915"
                           xFract="0.75108412"
                           y3="4.11829"
                           yFract="0.48794905"
                           z3="6.30089"
                           zFract="0.28356841"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21606"
                           xFract="0.49953318"
                           y3="4.23967"
                           yFract="0.50233057"
                           z3="4.24387"
                           zFract="0.19099325"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29183"
                           xFract="0.50851066"
                           y3="4.21651"
                           yFract="0.49958649"
                           z3="8.54646"
                           zFract="0.38462916"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29587"
                           xFract="0.74595616"
                           y3="6.2558"
                           yFract="0.74120853"
                           z3="4.29161"
                           zFract="0.19314176"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35035"
                           xFract="0.75241114"
                           y3="6.15384"
                           yFract="0.72912796"
                           z3="8.49517"
                           zFract="0.38232088"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.69">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.28039"
                           xFract="0.98108886"
                           y3="-0.04528"
                           yFract="-0.00536493"
                           z3="10.22797"
                           zFract="0.46030468"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33217"
                           xFract="0.75025711"
                           y3="4.20859"
                           yFract="0.4986481"
                           z3="4.23429"
                           zFract="0.19056211"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03015"
                           xFract="0.00357227"
                           y3="0.02862"
                           yFract="0.003391"
                           z3="6.31164"
                           zFract="0.28405221"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33973"
                           xFract="0.75115284"
                           y3="4.19795"
                           yFract="0.49738744"
                           z3="8.53005"
                           zFract="0.38389064"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10971"
                           xFract="0.24996564"
                           y3="4.21767"
                           yFract="0.49972393"
                           z3="4.2375"
                           zFract="0.19070657"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26081"
                           xFract="0.50483531"
                           y3="6.31674"
                           yFract="0.74842891"
                           z3="8.50089"
                           zFract="0.38257831"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12597"
                           xFract="0.25189218"
                           y3="8.43653"
                           yFract="0.99958886"
                           z3="4.21623"
                           zFract="0.18974932"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26524"
                           xFract="0.50536019"
                           y3="2.12538"
                           yFract="0.25182227"
                           z3="8.56806"
                           zFract="0.38560126"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09203"
                           xFract="0.24787085"
                           y3="2.1133"
                           yFract="0.250391"
                           z3="6.43842"
                           zFract="0.28975788"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22647"
                           xFract="0.50076659"
                           y3="6.31137"
                           yFract="0.74779265"
                           z3="4.25379"
                           zFract="0.19143969"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42947"
                           xFract="0.99875237"
                           y3="4.22133"
                           yFract="0.50015758"
                           z3="6.42622"
                           zFract="0.28920882"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.0944"
                           xFract="0.24815166"
                           y3="4.21125"
                           yFract="0.49896327"
                           z3="8.67488"
                           zFract="0.39040864"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00491"
                           xFract="-0.00058175"
                           y3="6.24988"
                           yFract="0.74050711"
                           z3="8.76263"
                           zFract="0.39435779"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35086"
                           xFract="0.75247156"
                           y3="6.31975"
                           yFract="0.74878555"
                           z3="6.41405"
                           zFract="0.28866112"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37784"
                           xFract="0.75566825"
                           y3="2.12227"
                           yFract="0.25145379"
                           z3="6.4723"
                           zFract="0.29128263"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2384"
                           xFract="0.50218009"
                           y3="-0.00423"
                           yFract="-0.00050118"
                           z3="6.4028"
                           zFract="0.28815482"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01947"
                           xFract="0.00230687"
                           y3="2.19473"
                           yFract="0.2600391"
                           z3="8.77344"
                           zFract="0.39484428"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00252"
                           xFract="0.00029858"
                           y3="2.13905"
                           yFract="0.25344194"
                           z3="4.25112"
                           zFract="0.19131953"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06723"
                           xFract="0.24493246"
                           y3="6.29715"
                           yFract="0.74610782"
                           z3="6.46766"
                           zFract="0.29107381"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01109"
                           xFract="0.00131398"
                           y3="6.30693"
                           yFract="0.74726659"
                           z3="4.22389"
                           zFract="0.19009406"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23692"
                           xFract="0.50200474"
                           y3="2.11432"
                           yFract="0.25051185"
                           z3="4.2879"
                           zFract="0.1929748"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32443"
                           xFract="0.74934005"
                           y3="0.06164"
                           yFract="0.00730332"
                           z3="8.55026"
                           zFract="0.38480018"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.22011"
                           xFract="0.26304621"
                           y3="0.00099"
                           yFract="0.0001173"
                           z3="8.53317"
                           zFract="0.38403105"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20741"
                           xFract="0.49850829"
                           y3="4.2036"
                           yFract="0.49805687"
                           z3="6.42184"
                           zFract="0.2890117"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32845"
                           xFract="0.74981635"
                           y3="0.0086"
                           yFract="0.00101896"
                           z3="4.24402"
                           zFract="0.1910"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03119"
                           xFract="0.0036955"
                           y3="1.9979"
                           yFract="0.23671801"
                           z3="6.34746"
                           zFract="0.28566427"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96809"
                           xFract="0.23318602"
                           y3="0.01003"
                           yFract="0.00118839"
                           z3="6.36793"
                           zFract="0.28658551"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01667"
                           xFract="0.00197512"
                           y3="0.00579"
                           yFract="0.00068602"
                           z3="4.17059"
                           zFract="0.18769532"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2689"
                           xFract="0.97972749"
                           y3="8.33928"
                           yFract="0.98806635"
                           z3="9.25523"
                           zFract="0.416527"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14257"
                           xFract="0.253859"
                           y3="2.09898"
                           yFract="0.24869431"
                           z3="4.26976"
                           zFract="0.19215842"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11633"
                           xFract="0.25075"
                           y3="2.04515"
                           yFract="0.24231635"
                           z3="8.58435"
                           zFract="0.38633438"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20677"
                           xFract="0.49843246"
                           y3="2.01878"
                           yFract="0.23919194"
                           z3="6.48362"
                           zFract="0.29179208"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.53918"
                           xFract="0.77478436"
                           y3="0.09718"
                           yFract="0.01151422"
                           z3="6.45957"
                           zFract="0.29070972"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22126"
                           xFract="0.50014929"
                           y3="8.40115"
                           yFract="0.99539692"
                           z3="4.17244"
                           zFract="0.18777858"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33924"
                           xFract="0.51412796"
                           y3="8.4327"
                           yFract="0.99913507"
                           z3="8.77372"
                           zFract="0.39485689"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31714"
                           xFract="0.7484763"
                           y3="2.17389"
                           yFract="0.25756991"
                           z3="4.14245"
                           zFract="0.18642889"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37375"
                           xFract="0.75518365"
                           y3="2.26478"
                           yFract="0.26833886"
                           z3="8.77851"
                           zFract="0.39507246"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41611"
                           xFract="0.99716943"
                           y3="6.5006"
                           yFract="0.77021327"
                           z3="6.32041"
                           zFract="0.28444689"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08419"
                           xFract="0.24694194"
                           y3="4.20378"
                           yFract="0.4980782"
                           z3="6.30408"
                           zFract="0.28371197"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00216"
                           xFract="0.00025592"
                           y3="4.2237"
                           yFract="0.50043839"
                           z3="4.35203"
                           zFract="0.19586094"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37554"
                           xFract="0.99236256"
                           y3="4.25062"
                           yFract="0.50362796"
                           z3="8.49387"
                           zFract="0.38226238"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15682"
                           xFract="0.25554739"
                           y3="6.32713"
                           yFract="0.74965995"
                           z3="4.19661"
                           zFract="0.18886634"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13754"
                           xFract="0.25326303"
                           y3="6.39029"
                           yFract="0.75714336"
                           z3="8.60581"
                           zFract="0.38730018"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2380"
                           xFract="0.5021327"
                           y3="6.4062"
                           yFract="0.75902844"
                           z3="6.40284"
                           zFract="0.28815662"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33913"
                           xFract="0.75108175"
                           y3="4.11824"
                           yFract="0.48794313"
                           z3="6.3012"
                           zFract="0.28358236"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21605"
                           xFract="0.49953199"
                           y3="4.2395"
                           yFract="0.50231043"
                           z3="4.24388"
                           zFract="0.1909937"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29168"
                           xFract="0.50849289"
                           y3="4.21648"
                           yFract="0.49958294"
                           z3="8.54699"
                           zFract="0.38465302"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29581"
                           xFract="0.74594905"
                           y3="6.25592"
                           yFract="0.74122275"
                           z3="4.29183"
                           zFract="0.19315167"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3502"
                           xFract="0.75239336"
                           y3="6.15386"
                           yFract="0.72913033"
                           z3="8.49532"
                           zFract="0.38232763"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.70">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27922"
                           xFract="0.98095024"
                           y3="-0.04611"
                           yFract="-0.00546327"
                           z3="10.23097"
                           zFract="0.46043969"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33221"
                           xFract="0.75026185"
                           y3="4.20861"
                           yFract="0.49865047"
                           z3="4.23414"
                           zFract="0.19055536"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.0287"
                           xFract="0.00340047"
                           y3="0.02896"
                           yFract="0.00343128"
                           z3="6.3128"
                           zFract="0.28410441"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33953"
                           xFract="0.75112915"
                           y3="4.19789"
                           yFract="0.49738033"
                           z3="8.53071"
                           zFract="0.38392034"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10957"
                           xFract="0.24994905"
                           y3="4.21772"
                           yFract="0.49972986"
                           z3="4.23789"
                           zFract="0.19072412"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26072"
                           xFract="0.50482464"
                           y3="6.31635"
                           yFract="0.7483827"
                           z3="8.50107"
                           zFract="0.38258641"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1253"
                           xFract="0.2518128"
                           y3="8.4366"
                           yFract="0.99959716"
                           z3="4.2164"
                           zFract="0.18975698"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26511"
                           xFract="0.50534479"
                           y3="2.12575"
                           yFract="0.25186611"
                           z3="8.56847"
                           zFract="0.38561971"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09186"
                           xFract="0.24785071"
                           y3="2.11324"
                           yFract="0.25038389"
                           z3="6.43871"
                           zFract="0.28977093"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22654"
                           xFract="0.50077488"
                           y3="6.31126"
                           yFract="0.74777962"
                           z3="4.25386"
                           zFract="0.19144284"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42952"
                           xFract="0.99875829"
                           y3="4.22111"
                           yFract="0.50013152"
                           z3="6.42684"
                           zFract="0.28923672"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09438"
                           xFract="0.24814929"
                           y3="4.21118"
                           yFract="0.49895498"
                           z3="8.67535"
                           zFract="0.39042979"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00477"
                           xFract="-0.00056517"
                           y3="6.24975"
                           yFract="0.74049171"
                           z3="8.76353"
                           zFract="0.39439829"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35105"
                           xFract="0.75249408"
                           y3="6.31987"
                           yFract="0.74879976"
                           z3="6.41428"
                           zFract="0.28867147"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37818"
                           xFract="0.75570853"
                           y3="2.12208"
                           yFract="0.25143128"
                           z3="6.47238"
                           zFract="0.29128623"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23875"
                           xFract="0.50222156"
                           y3="-0.00426"
                           yFract="-0.00050474"
                           z3="6.40294"
                           zFract="0.28816112"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.01976"
                           xFract="0.00234123"
                           y3="2.19457"
                           yFract="0.26002014"
                           z3="8.77419"
                           zFract="0.39487804"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00248"
                           xFract="0.00029384"
                           y3="2.13865"
                           yFract="0.25339455"
                           z3="4.25155"
                           zFract="0.19133888"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06723"
                           xFract="0.24493246"
                           y3="6.2970"
                           yFract="0.74609005"
                           z3="6.46795"
                           zFract="0.29108686"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01105"
                           xFract="0.00130924"
                           y3="6.30729"
                           yFract="0.74730924"
                           z3="4.22436"
                           zFract="0.19011521"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23687"
                           xFract="0.50199882"
                           y3="2.11468"
                           yFract="0.2505545"
                           z3="4.28796"
                           zFract="0.1929775"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32553"
                           xFract="0.74947038"
                           y3="0.06194"
                           yFract="0.00733886"
                           z3="8.55042"
                           zFract="0.38480738"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21973"
                           xFract="0.26300118"
                           y3="0.00098"
                           yFract="0.00011611"
                           z3="8.53356"
                           zFract="0.3840486"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20728"
                           xFract="0.49849289"
                           y3="4.20374"
                           yFract="0.49807346"
                           z3="6.42246"
                           zFract="0.2890396"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.32931"
                           xFract="0.74991825"
                           y3="0.00862"
                           yFract="0.00102133"
                           z3="4.24436"
                           zFract="0.1910153"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03147"
                           xFract="0.00372867"
                           y3="1.99772"
                           yFract="0.23669668"
                           z3="6.34787"
                           zFract="0.28568272"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96831"
                           xFract="0.23321209"
                           y3="0.01018"
                           yFract="0.00120616"
                           z3="6.36824"
                           zFract="0.28659946"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01659"
                           xFract="0.00196564"
                           y3="0.0057"
                           yFract="0.00067536"
                           z3="4.16976"
                           zFract="0.18765797"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26758"
                           xFract="0.97957109"
                           y3="8.3385"
                           yFract="0.98797393"
                           z3="9.25697"
                           zFract="0.41660531"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14294"
                           xFract="0.25390284"
                           y3="2.09946"
                           yFract="0.24875118"
                           z3="4.26984"
                           zFract="0.19216202"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11613"
                           xFract="0.2507263"
                           y3="2.04475"
                           yFract="0.24226896"
                           z3="8.58472"
                           zFract="0.38635104"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20708"
                           xFract="0.49846919"
                           y3="2.01887"
                           yFract="0.23920261"
                           z3="6.48375"
                           zFract="0.29179793"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.54078"
                           xFract="0.77497393"
                           y3="0.09713"
                           yFract="0.01150829"
                           z3="6.4602"
                           zFract="0.29073807"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22175"
                           xFract="0.50020735"
                           y3="8.40104"
                           yFract="0.99538389"
                           z3="4.17332"
                           zFract="0.18781818"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33942"
                           xFract="0.51414929"
                           y3="8.43269"
                           yFract="0.99913389"
                           z3="8.77273"
                           zFract="0.39481233"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31708"
                           xFract="0.74846919"
                           y3="2.17379"
                           yFract="0.25755806"
                           z3="4.14257"
                           zFract="0.18643429"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37401"
                           xFract="0.75521445"
                           y3="2.26468"
                           yFract="0.26832701"
                           z3="8.77937"
                           zFract="0.39511116"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41655"
                           xFract="0.99722156"
                           y3="6.50109"
                           yFract="0.77027133"
                           z3="6.32102"
                           zFract="0.28447435"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0841"
                           xFract="0.24693128"
                           y3="4.2039"
                           yFract="0.49809242"
                           z3="6.30462"
                           zFract="0.28373627"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00247"
                           xFract="0.00029265"
                           y3="4.22387"
                           yFract="0.50045853"
                           z3="4.35233"
                           zFract="0.19587444"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37578"
                           xFract="0.992391"
                           y3="4.25073"
                           yFract="0.503641"
                           z3="8.49451"
                           zFract="0.38229118"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15712"
                           xFract="0.25558294"
                           y3="6.32689"
                           yFract="0.74963152"
                           z3="4.19662"
                           zFract="0.18886679"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13758"
                           xFract="0.25326777"
                           y3="6.39067"
                           yFract="0.75718839"
                           z3="8.60618"
                           zFract="0.38731683"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23803"
                           xFract="0.50213626"
                           y3="6.4060"
                           yFract="0.75900474"
                           z3="6.40283"
                           zFract="0.28815617"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33906"
                           xFract="0.75107346"
                           y3="4.1182"
                           yFract="0.48793839"
                           z3="6.30165"
                           zFract="0.28360261"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21598"
                           xFract="0.4995237"
                           y3="4.23923"
                           yFract="0.50227844"
                           z3="4.24389"
                           zFract="0.19099415"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29148"
                           xFract="0.50846919"
                           y3="4.21643"
                           yFract="0.49957701"
                           z3="8.5477"
                           zFract="0.38468497"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29573"
                           xFract="0.74593957"
                           y3="6.25614"
                           yFract="0.74124882"
                           z3="4.29218"
                           zFract="0.19316742"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.35001"
                           xFract="0.75237085"
                           y3="6.15389"
                           yFract="0.72913389"
                           z3="8.49547"
                           zFract="0.38233438"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.71">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27673"
                           xFract="0.98065521"
                           y3="-0.04787"
                           yFract="-0.0056718"
                           z3="10.23733"
                           zFract="0.46072592"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33229"
                           xFract="0.75027133"
                           y3="4.20865"
                           yFract="0.49865521"
                           z3="4.23381"
                           zFract="0.1905405"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02563"
                           xFract="0.00303673"
                           y3="0.0297"
                           yFract="0.00351896"
                           z3="6.31526"
                           zFract="0.28421512"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33912"
                           xFract="0.75108057"
                           y3="4.19775"
                           yFract="0.49736374"
                           z3="8.53211"
                           zFract="0.38398335"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10925"
                           xFract="0.24991114"
                           y3="4.21782"
                           yFract="0.49974171"
                           z3="4.23872"
                           zFract="0.19076148"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26053"
                           xFract="0.50480213"
                           y3="6.31554"
                           yFract="0.74828673"
                           z3="8.50146"
                           zFract="0.38260396"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12387"
                           xFract="0.25164336"
                           y3="8.43675"
                           yFract="0.99961493"
                           z3="4.21677"
                           zFract="0.18977363"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26483"
                           xFract="0.50531161"
                           y3="2.12653"
                           yFract="0.25195853"
                           z3="8.56933"
                           zFract="0.38565842"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09148"
                           xFract="0.24780569"
                           y3="2.11311"
                           yFract="0.25036848"
                           z3="6.43933"
                           zFract="0.28979883"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22671"
                           xFract="0.50079502"
                           y3="6.31104"
                           yFract="0.74775355"
                           z3="4.2540"
                           zFract="0.19144914"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42963"
                           xFract="0.99877133"
                           y3="4.22062"
                           yFract="0.50007346"
                           z3="6.42816"
                           zFract="0.28929613"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09432"
                           xFract="0.24814218"
                           y3="4.21103"
                           yFract="0.4989372"
                           z3="8.67634"
                           zFract="0.39047435"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00448"
                           xFract="-0.00053081"
                           y3="6.24947"
                           yFract="0.74045853"
                           z3="8.76544"
                           zFract="0.39448425"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35146"
                           xFract="0.75254265"
                           y3="6.32014"
                           yFract="0.74883175"
                           z3="6.41477"
                           zFract="0.28869352"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.3789"
                           xFract="0.75579384"
                           y3="2.12168"
                           yFract="0.25138389"
                           z3="6.47256"
                           zFract="0.29129433"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23947"
                           xFract="0.50230687"
                           y3="-0.00433"
                           yFract="-0.00051303"
                           z3="6.40322"
                           zFract="0.28817372"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02038"
                           xFract="0.00241469"
                           y3="2.19422"
                           yFract="0.25997867"
                           z3="8.77578"
                           zFract="0.39494959"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00238"
                           xFract="0.00028199"
                           y3="2.13781"
                           yFract="0.25329502"
                           z3="4.25245"
                           zFract="0.19137939"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06725"
                           xFract="0.24493483"
                           y3="6.29669"
                           yFract="0.74605332"
                           z3="6.46857"
                           zFract="0.29111476"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01094"
                           xFract="0.00129621"
                           y3="6.30805"
                           yFract="0.74739929"
                           z3="4.22536"
                           zFract="0.19016022"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23676"
                           xFract="0.50198578"
                           y3="2.11543"
                           yFract="0.25064336"
                           z3="4.2881"
                           zFract="0.1929838"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32787"
                           xFract="0.74974763"
                           y3="0.06259"
                           yFract="0.00741588"
                           z3="8.55076"
                           zFract="0.38482268"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21893"
                           xFract="0.2629064"
                           y3="0.00097"
                           yFract="0.00011493"
                           z3="8.53441"
                           zFract="0.38408686"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20699"
                           xFract="0.49845853"
                           y3="4.20404"
                           yFract="0.498109"
                           z3="6.42378"
                           zFract="0.28909901"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33113"
                           xFract="0.75013389"
                           y3="0.00868"
                           yFract="0.00102844"
                           z3="4.24507"
                           zFract="0.19104725"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03206"
                           xFract="0.00379858"
                           y3="1.99734"
                           yFract="0.23665166"
                           z3="6.34873"
                           zFract="0.28572142"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96878"
                           xFract="0.23326777"
                           y3="0.01049"
                           yFract="0.00124289"
                           z3="6.3689"
                           zFract="0.28662916"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01642"
                           xFract="0.0019455"
                           y3="0.00551"
                           yFract="0.00065284"
                           z3="4.1680"
                           zFract="0.18757876"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2648"
                           xFract="0.97924171"
                           y3="8.33682"
                           yFract="0.98777488"
                           z3="9.26066"
                           zFract="0.41677138"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14371"
                           xFract="0.25399408"
                           y3="2.10048"
                           yFract="0.24887204"
                           z3="4.27002"
                           zFract="0.19217012"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11569"
                           xFract="0.25067417"
                           y3="2.0439"
                           yFract="0.24216825"
                           z3="8.5855"
                           zFract="0.38638614"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20774"
                           xFract="0.49854739"
                           y3="2.01906"
                           yFract="0.23922512"
                           z3="6.48402"
                           zFract="0.29181008"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.54417"
                           xFract="0.77537559"
                           y3="0.09702"
                           yFract="0.01149526"
                           z3="6.46154"
                           zFract="0.29079838"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22278"
                           xFract="0.50032938"
                           y3="8.40081"
                           yFract="0.99535664"
                           z3="4.17517"
                           zFract="0.18790144"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33981"
                           xFract="0.5141955"
                           y3="8.43266"
                           yFract="0.99913033"
                           z3="8.77065"
                           zFract="0.39471872"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31693"
                           xFract="0.74845142"
                           y3="2.17357"
                           yFract="0.25753199"
                           z3="4.14283"
                           zFract="0.18644599"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37458"
                           xFract="0.75528199"
                           y3="2.26446"
                           yFract="0.26830095"
                           z3="8.78118"
                           zFract="0.39519262"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41748"
                           xFract="0.99733175"
                           y3="6.50213"
                           yFract="0.77039455"
                           z3="6.32231"
                           zFract="0.2845324"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0839"
                           xFract="0.24690758"
                           y3="4.20414"
                           yFract="0.49812085"
                           z3="6.30578"
                           zFract="0.28378848"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00313"
                           xFract="0.00037085"
                           y3="4.22424"
                           yFract="0.50050237"
                           z3="4.35297"
                           zFract="0.19590324"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37629"
                           xFract="0.99245142"
                           y3="4.25098"
                           yFract="0.50367062"
                           z3="8.49587"
                           zFract="0.38235239"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15776"
                           xFract="0.25565877"
                           y3="6.32639"
                           yFract="0.74957227"
                           z3="4.19665"
                           zFract="0.18886814"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13765"
                           xFract="0.25327607"
                           y3="6.39147"
                           yFract="0.75728318"
                           z3="8.60696"
                           zFract="0.38735194"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23811"
                           xFract="0.50214573"
                           y3="6.40558"
                           yFract="0.75895498"
                           z3="6.40283"
                           zFract="0.28815617"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33891"
                           xFract="0.75105569"
                           y3="4.11811"
                           yFract="0.48792773"
                           z3="6.30259"
                           zFract="0.28364491"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21583"
                           xFract="0.49950592"
                           y3="4.23866"
                           yFract="0.5022109"
                           z3="4.24391"
                           zFract="0.19099505"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29106"
                           xFract="0.50841943"
                           y3="4.21634"
                           yFract="0.49956635"
                           z3="8.54922"
                           zFract="0.38475338"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29558"
                           xFract="0.7459218"
                           y3="6.25659"
                           yFract="0.74130213"
                           z3="4.29292"
                           zFract="0.19320072"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3496"
                           xFract="0.75232227"
                           y3="6.15396"
                           yFract="0.72914218"
                           z3="8.49579"
                           zFract="0.38234878"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.72">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27693"
                           xFract="0.98067891"
                           y3="-0.04773"
                           yFract="-0.00565521"
                           z3="10.23683"
                           zFract="0.46070342"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33228"
                           xFract="0.75027014"
                           y3="4.20865"
                           yFract="0.49865521"
                           z3="4.23384"
                           zFract="0.19054185"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02587"
                           xFract="0.00306517"
                           y3="0.02964"
                           yFract="0.00351185"
                           z3="6.31506"
                           zFract="0.28420612"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.33915"
                           xFract="0.75108412"
                           y3="4.19776"
                           yFract="0.49736493"
                           z3="8.5320"
                           zFract="0.3839784"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10928"
                           xFract="0.24991469"
                           y3="4.21781"
                           yFract="0.49974052"
                           z3="4.23865"
                           zFract="0.19075833"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26055"
                           xFract="0.5048045"
                           y3="6.31561"
                           yFract="0.74829502"
                           z3="8.50143"
                           zFract="0.38260261"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12399"
                           xFract="0.25165758"
                           y3="8.43674"
                           yFract="0.99961374"
                           z3="4.21674"
                           zFract="0.18977228"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26486"
                           xFract="0.50531517"
                           y3="2.12647"
                           yFract="0.25195142"
                           z3="8.56926"
                           zFract="0.38565527"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09151"
                           xFract="0.24780924"
                           y3="2.11312"
                           yFract="0.25036967"
                           z3="6.43928"
                           zFract="0.28979658"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22669"
                           xFract="0.50079265"
                           y3="6.31106"
                           yFract="0.74775592"
                           z3="4.25399"
                           zFract="0.19144869"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42962"
                           xFract="0.99877014"
                           y3="4.22066"
                           yFract="0.5000782"
                           z3="6.42805"
                           zFract="0.28929118"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09432"
                           xFract="0.24814218"
                           y3="4.21104"
                           yFract="0.49893839"
                           z3="8.67626"
                           zFract="0.39047075"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.0045"
                           xFract="-0.00053318"
                           y3="6.24949"
                           yFract="0.7404609"
                           z3="8.76529"
                           zFract="0.3944775"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35143"
                           xFract="0.7525391"
                           y3="6.32012"
                           yFract="0.74882938"
                           z3="6.41473"
                           zFract="0.28869172"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37884"
                           xFract="0.75578673"
                           y3="2.12171"
                           yFract="0.25138744"
                           z3="6.47254"
                           zFract="0.29129343"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23941"
                           xFract="0.50229976"
                           y3="-0.00432"
                           yFract="-0.00051185"
                           z3="6.4032"
                           zFract="0.28817282"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02033"
                           xFract="0.00240877"
                           y3="2.19425"
                           yFract="0.25998223"
                           z3="8.77565"
                           zFract="0.39494374"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00239"
                           xFract="0.00028318"
                           y3="2.13788"
                           yFract="0.25330332"
                           z3="4.25238"
                           zFract="0.19137624"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06725"
                           xFract="0.24493483"
                           y3="6.29672"
                           yFract="0.74605687"
                           z3="6.46852"
                           zFract="0.29111251"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01095"
                           xFract="0.00129739"
                           y3="6.30799"
                           yFract="0.74739218"
                           z3="4.22528"
                           zFract="0.19015662"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23677"
                           xFract="0.50198697"
                           y3="2.11537"
                           yFract="0.25063626"
                           z3="4.28808"
                           zFract="0.1929829"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32768"
                           xFract="0.74972512"
                           y3="0.06254"
                           yFract="0.00740995"
                           z3="8.55073"
                           zFract="0.38482133"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21899"
                           xFract="0.26291351"
                           y3="0.00097"
                           yFract="0.00011493"
                           z3="8.53435"
                           zFract="0.38408416"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20702"
                           xFract="0.49846209"
                           y3="4.20401"
                           yFract="0.49810545"
                           z3="6.42367"
                           zFract="0.28909406"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33098"
                           xFract="0.75011611"
                           y3="0.00868"
                           yFract="0.00102844"
                           z3="4.24501"
                           zFract="0.19104455"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03202"
                           xFract="0.00379384"
                           y3="1.99737"
                           yFract="0.23665521"
                           z3="6.34866"
                           zFract="0.28571827"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96875"
                           xFract="0.23326422"
                           y3="0.01046"
                           yFract="0.00123934"
                           z3="6.36885"
                           zFract="0.28662691"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01644"
                           xFract="0.00194787"
                           y3="0.00553"
                           yFract="0.00065521"
                           z3="4.16814"
                           zFract="0.18758506"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26502"
                           xFract="0.97926777"
                           y3="8.33695"
                           yFract="0.98779028"
                           z3="9.26036"
                           zFract="0.41675788"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14365"
                           xFract="0.25398697"
                           y3="2.1004"
                           yFract="0.24886256"
                           z3="4.2700"
                           zFract="0.19216922"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11573"
                           xFract="0.25067891"
                           y3="2.04397"
                           yFract="0.24217654"
                           z3="8.58544"
                           zFract="0.38638344"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20768"
                           xFract="0.49854028"
                           y3="2.01905"
                           yFract="0.23922393"
                           z3="6.4840"
                           zFract="0.29180918"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.5439"
                           xFract="0.7753436"
                           y3="0.09703"
                           yFract="0.01149645"
                           z3="6.46143"
                           zFract="0.29079343"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22269"
                           xFract="0.50031872"
                           y3="8.40083"
                           yFract="0.995359"
                           z3="4.17502"
                           zFract="0.18789469"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.33978"
                           xFract="0.51419194"
                           y3="8.43266"
                           yFract="0.99913033"
                           z3="8.77081"
                           zFract="0.39472592"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31694"
                           xFract="0.74845261"
                           y3="2.17359"
                           yFract="0.25753436"
                           z3="4.14281"
                           zFract="0.18644509"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37453"
                           xFract="0.75527607"
                           y3="2.26448"
                           yFract="0.26830332"
                           z3="8.78104"
                           zFract="0.39518632"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41741"
                           xFract="0.99732346"
                           y3="6.50205"
                           yFract="0.77038507"
                           z3="6.3222"
                           zFract="0.28452745"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08391"
                           xFract="0.24690877"
                           y3="4.20412"
                           yFract="0.49811848"
                           z3="6.30568"
                           zFract="0.28378398"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00308"
                           xFract="0.00036493"
                           y3="4.22421"
                           yFract="0.50049882"
                           z3="4.35292"
                           zFract="0.19590099"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37625"
                           xFract="0.99244668"
                           y3="4.25096"
                           yFract="0.50366825"
                           z3="8.49576"
                           zFract="0.38234743"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15771"
                           xFract="0.25565284"
                           y3="6.32643"
                           yFract="0.74957701"
                           z3="4.19664"
                           zFract="0.18886769"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13764"
                           xFract="0.25327488"
                           y3="6.39141"
                           yFract="0.75727607"
                           z3="8.6069"
                           zFract="0.38734923"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2381"
                           xFract="0.50214455"
                           y3="6.40561"
                           yFract="0.75895853"
                           z3="6.40283"
                           zFract="0.28815617"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33892"
                           xFract="0.75105687"
                           y3="4.11812"
                           yFract="0.48792891"
                           z3="6.30251"
                           zFract="0.28364131"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21585"
                           xFract="0.49950829"
                           y3="4.23871"
                           yFract="0.50221682"
                           z3="4.24391"
                           zFract="0.19099505"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2911"
                           xFract="0.50842417"
                           y3="4.21634"
                           yFract="0.49956635"
                           z3="8.5491"
                           zFract="0.38474797"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29559"
                           xFract="0.74592299"
                           y3="6.25655"
                           yFract="0.74129739"
                           z3="4.29286"
                           zFract="0.19319802"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34963"
                           xFract="0.75232583"
                           y3="6.15395"
                           yFract="0.729141"
                           z3="8.49576"
                           zFract="0.38234743"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.73">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27665"
                           xFract="0.98064573"
                           y3="-0.04795"
                           yFract="-0.00568128"
                           z3="10.23775"
                           zFract="0.46074482"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3323"
                           xFract="0.75027251"
                           y3="4.20863"
                           yFract="0.49865284"
                           z3="4.23382"
                           zFract="0.19054095"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02637"
                           xFract="0.00312441"
                           y3="0.02977"
                           yFract="0.00352725"
                           z3="6.31545"
                           zFract="0.28422367"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.3394"
                           xFract="0.75111374"
                           y3="4.19777"
                           yFract="0.49736611"
                           z3="8.5321"
                           zFract="0.3839829"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10925"
                           xFract="0.24991114"
                           y3="4.21791"
                           yFract="0.49975237"
                           z3="4.23876"
                           zFract="0.19076328"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26059"
                           xFract="0.50480924"
                           y3="6.3157"
                           yFract="0.74830569"
                           z3="8.50142"
                           zFract="0.38260216"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1241"
                           xFract="0.25167062"
                           y3="8.43674"
                           yFract="0.99961374"
                           z3="4.21687"
                           zFract="0.18977813"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26483"
                           xFract="0.50531161"
                           y3="2.1263"
                           yFract="0.25193128"
                           z3="8.56926"
                           zFract="0.38565527"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09156"
                           xFract="0.24781517"
                           y3="2.1131"
                           yFract="0.2503673"
                           z3="6.43935"
                           zFract="0.28979973"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22675"
                           xFract="0.50079976"
                           y3="6.31102"
                           yFract="0.74775118"
                           z3="4.25394"
                           zFract="0.19144644"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42949"
                           xFract="0.99875474"
                           y3="4.22054"
                           yFract="0.50006398"
                           z3="6.42813"
                           zFract="0.28929478"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09417"
                           xFract="0.24812441"
                           y3="4.21105"
                           yFract="0.49893957"
                           z3="8.67634"
                           zFract="0.39047435"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00448"
                           xFract="-0.00053081"
                           y3="6.24935"
                           yFract="0.74044431"
                           z3="8.76552"
                           zFract="0.39448785"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35143"
                           xFract="0.7525391"
                           y3="6.32009"
                           yFract="0.74882583"
                           z3="6.41486"
                           zFract="0.28869757"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37894"
                           xFract="0.75579858"
                           y3="2.12164"
                           yFract="0.25137915"
                           z3="6.47259"
                           zFract="0.29129568"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23944"
                           xFract="0.50230332"
                           y3="-0.00434"
                           yFract="-0.00051422"
                           z3="6.40333"
                           zFract="0.28817867"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02045"
                           xFract="0.00242299"
                           y3="2.19433"
                           yFract="0.25999171"
                           z3="8.77579"
                           zFract="0.39495005"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00226"
                           xFract="0.00026777"
                           y3="2.13796"
                           yFract="0.2533128"
                           z3="4.25253"
                           zFract="0.19138299"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06732"
                           xFract="0.24494313"
                           y3="6.29677"
                           yFract="0.7460628"
                           z3="6.46855"
                           zFract="0.29111386"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01088"
                           xFract="0.0012891"
                           y3="6.30794"
                           yFract="0.74738626"
                           z3="4.22543"
                           zFract="0.19016337"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23687"
                           xFract="0.50199882"
                           y3="2.11535"
                           yFract="0.25063389"
                           z3="4.28808"
                           zFract="0.1929829"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32763"
                           xFract="0.74971919"
                           y3="0.06265"
                           yFract="0.00742299"
                           z3="8.55095"
                           zFract="0.38483123"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.2189"
                           xFract="0.26290284"
                           y3="0.00093"
                           yFract="0.00011019"
                           z3="8.53444"
                           zFract="0.38408821"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20691"
                           xFract="0.49844905"
                           y3="4.20403"
                           yFract="0.49810782"
                           z3="6.42367"
                           zFract="0.28909406"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33106"
                           xFract="0.75012559"
                           y3="0.00873"
                           yFract="0.00103436"
                           z3="4.24502"
                           zFract="0.191045"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03209"
                           xFract="0.00380213"
                           y3="1.9975"
                           yFract="0.23667062"
                           z3="6.34869"
                           zFract="0.28571962"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96849"
                           xFract="0.23323341"
                           y3="0.01049"
                           yFract="0.00124289"
                           z3="6.36884"
                           zFract="0.28662646"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01648"
                           xFract="0.00195261"
                           y3="0.00551"
                           yFract="0.00065284"
                           z3="4.16792"
                           zFract="0.18757516"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.2647"
                           xFract="0.97922986"
                           y3="8.33663"
                           yFract="0.98775237"
                           z3="9.26082"
                           zFract="0.41677858"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14361"
                           xFract="0.25398223"
                           y3="2.10049"
                           yFract="0.24887322"
                           z3="4.27003"
                           zFract="0.19217057"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11557"
                           xFract="0.25065995"
                           y3="2.04396"
                           yFract="0.24217536"
                           z3="8.58551"
                           zFract="0.38638659"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20781"
                           xFract="0.49855569"
                           y3="2.01911"
                           yFract="0.23923104"
                           z3="6.4841"
                           zFract="0.29181368"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.54391"
                           xFract="0.77534479"
                           y3="0.0970"
                           yFract="0.01149289"
                           z3="6.4616"
                           zFract="0.29080108"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22273"
                           xFract="0.50032346"
                           y3="8.40081"
                           yFract="0.99535664"
                           z3="4.17523"
                           zFract="0.18790414"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34004"
                           xFract="0.51422275"
                           y3="8.43266"
                           yFract="0.99913033"
                           z3="8.77008"
                           zFract="0.39469307"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31707"
                           xFract="0.74846801"
                           y3="2.17358"
                           yFract="0.25753318"
                           z3="4.14284"
                           zFract="0.18644644"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37461"
                           xFract="0.75528555"
                           y3="2.26455"
                           yFract="0.26831161"
                           z3="8.7812"
                           zFract="0.39519352"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41746"
                           xFract="0.99732938"
                           y3="6.5020"
                           yFract="0.77037915"
                           z3="6.32234"
                           zFract="0.28453375"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08386"
                           xFract="0.24690284"
                           y3="4.20412"
                           yFract="0.49811848"
                           z3="6.30589"
                           zFract="0.28379343"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00323"
                           xFract="0.0003827"
                           y3="4.22425"
                           yFract="0.50050355"
                           z3="4.35288"
                           zFract="0.19589919"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37624"
                           xFract="0.9924455"
                           y3="4.25104"
                           yFract="0.50367773"
                           z3="8.4959"
                           zFract="0.38235374"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15771"
                           xFract="0.25565284"
                           y3="6.32645"
                           yFract="0.74957938"
                           z3="4.19665"
                           zFract="0.18886814"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1375"
                           xFract="0.25325829"
                           y3="6.39141"
                           yFract="0.75727607"
                           z3="8.60699"
                           zFract="0.38735329"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.2382"
                           xFract="0.5021564"
                           y3="6.40543"
                           yFract="0.7589372"
                           z3="6.40288"
                           zFract="0.28815842"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33889"
                           xFract="0.75105332"
                           y3="4.1181"
                           yFract="0.48792654"
                           z3="6.30266"
                           zFract="0.28364806"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21578"
                           xFract="0.4995"
                           y3="4.2387"
                           yFract="0.50221564"
                           z3="4.2439"
                           zFract="0.1909946"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29102"
                           xFract="0.50841469"
                           y3="4.21631"
                           yFract="0.4995628"
                           z3="8.54932"
                           zFract="0.38475788"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29569"
                           xFract="0.74593483"
                           y3="6.25662"
                           yFract="0.74130569"
                           z3="4.29302"
                           zFract="0.19320522"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34962"
                           xFract="0.75232464"
                           y3="6.15383"
                           yFract="0.72912678"
                           z3="8.49574"
                           zFract="0.38234653"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.74">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.2758"
                           xFract="0.98054502"
                           y3="-0.04861"
                           yFract="-0.00575948"
                           z3="10.24051"
                           zFract="0.46086904"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33236"
                           xFract="0.75027962"
                           y3="4.20859"
                           yFract="0.4986481"
                           z3="4.23375"
                           zFract="0.1905378"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02786"
                           xFract="0.00330095"
                           y3="0.03016"
                           yFract="0.00357346"
                           z3="6.31663"
                           zFract="0.28427678"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34015"
                           xFract="0.75120261"
                           y3="4.19779"
                           yFract="0.49736848"
                           z3="8.5324"
                           zFract="0.3839964"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10915"
                           xFract="0.24989929"
                           y3="4.2182"
                           yFract="0.49978673"
                           z3="4.23906"
                           zFract="0.19077678"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26074"
                           xFract="0.50482701"
                           y3="6.31598"
                           yFract="0.74833886"
                           z3="8.50139"
                           zFract="0.38260081"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12444"
                           xFract="0.2517109"
                           y3="8.43673"
                           yFract="0.99961256"
                           z3="4.21728"
                           zFract="0.18979658"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26477"
                           xFract="0.5053045"
                           y3="2.1258"
                           yFract="0.25187204"
                           z3="8.56926"
                           zFract="0.38565527"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09171"
                           xFract="0.24783294"
                           y3="2.11303"
                           yFract="0.250359"
                           z3="6.43954"
                           zFract="0.28980828"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22693"
                           xFract="0.50082109"
                           y3="6.31091"
                           yFract="0.74773815"
                           z3="4.25382"
                           zFract="0.19144104"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42909"
                           xFract="0.99870735"
                           y3="4.22019"
                           yFract="0.50002251"
                           z3="6.42835"
                           zFract="0.28930468"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09372"
                           xFract="0.24807109"
                           y3="4.21107"
                           yFract="0.49894194"
                           z3="8.67657"
                           zFract="0.3904847"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00443"
                           xFract="-0.00052488"
                           y3="6.24893"
                           yFract="0.74039455"
                           z3="8.76619"
                           zFract="0.394518"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35143"
                           xFract="0.7525391"
                           y3="6.32002"
                           yFract="0.74881754"
                           z3="6.41523"
                           zFract="0.28871422"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37925"
                           xFract="0.75583531"
                           y3="2.12143"
                           yFract="0.25135427"
                           z3="6.47272"
                           zFract="0.29130153"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23954"
                           xFract="0.50231517"
                           y3="-0.00438"
                           yFract="-0.00051896"
                           z3="6.40373"
                           zFract="0.28819667"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02079"
                           xFract="0.00246327"
                           y3="2.19458"
                           yFract="0.26002133"
                           z3="8.7762"
                           zFract="0.3949685"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00185"
                           xFract="0.00021919"
                           y3="2.13821"
                           yFract="0.25334242"
                           z3="4.25299"
                           zFract="0.19140369"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06754"
                           xFract="0.24496919"
                           y3="6.29692"
                           yFract="0.74608057"
                           z3="6.46864"
                           zFract="0.29111791"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01066"
                           xFract="0.00126303"
                           y3="6.30779"
                           yFract="0.74736848"
                           z3="4.22585"
                           zFract="0.19018227"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23718"
                           xFract="0.50203555"
                           y3="2.11531"
                           yFract="0.25062915"
                           z3="4.28805"
                           zFract="0.19298155"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32749"
                           xFract="0.74970261"
                           y3="0.06298"
                           yFract="0.00746209"
                           z3="8.55159"
                           zFract="0.38486004"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21864"
                           xFract="0.26287204"
                           y3="0.00083"
                           yFract="0.00009834"
                           z3="8.53472"
                           zFract="0.38410081"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20659"
                           xFract="0.49841114"
                           y3="4.20406"
                           yFract="0.49811137"
                           z3="6.42366"
                           zFract="0.28909361"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33129"
                           xFract="0.75015284"
                           y3="0.00891"
                           yFract="0.00105569"
                           z3="4.24506"
                           zFract="0.1910468"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03233"
                           xFract="0.00383057"
                           y3="1.9979"
                           yFract="0.23671801"
                           z3="6.34878"
                           zFract="0.28572367"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96773"
                           xFract="0.23314336"
                           y3="0.01057"
                           yFract="0.00125237"
                           z3="6.36882"
                           zFract="0.28662556"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01662"
                           xFract="0.00196919"
                           y3="0.00544"
                           yFract="0.00064455"
                           z3="4.16728"
                           zFract="0.18754635"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26376"
                           xFract="0.97911848"
                           y3="8.33567"
                           yFract="0.98763863"
                           z3="9.26219"
                           zFract="0.41684023"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14349"
                           xFract="0.25396801"
                           y3="2.10076"
                           yFract="0.24890521"
                           z3="4.27011"
                           zFract="0.19217417"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11509"
                           xFract="0.25060308"
                           y3="2.04392"
                           yFract="0.24217062"
                           z3="8.58574"
                           zFract="0.38639694"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20819"
                           xFract="0.49860071"
                           y3="2.0193"
                           yFract="0.23925355"
                           z3="6.48441"
                           zFract="0.29182763"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.54394"
                           xFract="0.77534834"
                           y3="0.09693"
                           yFract="0.0114846"
                           z3="6.46211"
                           zFract="0.29082403"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22284"
                           xFract="0.50033649"
                           y3="8.40076"
                           yFract="0.99535071"
                           z3="4.17584"
                           zFract="0.18793159"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34083"
                           xFract="0.51431635"
                           y3="8.43264"
                           yFract="0.99912796"
                           z3="8.7679"
                           zFract="0.39459496"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31744"
                           xFract="0.74851185"
                           y3="2.17354"
                           yFract="0.25752844"
                           z3="4.14296"
                           zFract="0.18645185"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37483"
                           xFract="0.75531161"
                           y3="2.26477"
                           yFract="0.26833768"
                           z3="8.7817"
                           zFract="0.39521602"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41763"
                           xFract="0.99734953"
                           y3="6.50183"
                           yFract="0.770359"
                           z3="6.32273"
                           zFract="0.28455131"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0837"
                           xFract="0.24688389"
                           y3="4.20414"
                           yFract="0.49812085"
                           z3="6.3065"
                           zFract="0.28382088"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00369"
                           xFract="0.0004372"
                           y3="4.22439"
                           yFract="0.50052014"
                           z3="4.35279"
                           zFract="0.19589514"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37622"
                           xFract="0.99244313"
                           y3="4.25126"
                           yFract="0.50370379"
                           z3="8.49632"
                           zFract="0.38237264"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15772"
                           xFract="0.25565403"
                           y3="6.32652"
                           yFract="0.74958768"
                           z3="4.19665"
                           zFract="0.18886814"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13707"
                           xFract="0.25320735"
                           y3="6.39141"
                           yFract="0.75727607"
                           z3="8.60727"
                           zFract="0.38736589"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23849"
                           xFract="0.50219076"
                           y3="6.40486"
                           yFract="0.75886967"
                           z3="6.4030"
                           zFract="0.28816382"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33879"
                           xFract="0.75104147"
                           y3="4.11803"
                           yFract="0.48791825"
                           z3="6.30309"
                           zFract="0.28366742"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21558"
                           xFract="0.4994763"
                           y3="4.23868"
                           yFract="0.50221327"
                           z3="4.24388"
                           zFract="0.1909937"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29078"
                           xFract="0.50838626"
                           y3="4.2162"
                           yFract="0.49954976"
                           z3="8.54999"
                           zFract="0.38478803"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29597"
                           xFract="0.74596801"
                           y3="6.25683"
                           yFract="0.74133057"
                           z3="4.29347"
                           zFract="0.19322547"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34961"
                           xFract="0.75232346"
                           y3="6.15347"
                           yFract="0.72908412"
                           z3="8.49567"
                           zFract="0.38234338"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.75">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27412"
                           xFract="0.98034597"
                           y3="-0.04993"
                           yFract="-0.00591588"
                           z3="10.24603"
                           zFract="0.46111746"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33247"
                           xFract="0.75029265"
                           y3="4.2085"
                           yFract="0.49863744"
                           z3="4.23361"
                           zFract="0.1905315"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03084"
                           xFract="0.00365403"
                           y3="0.03094"
                           yFract="0.00366588"
                           z3="6.31897"
                           zFract="0.28438209"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34165"
                           xFract="0.75138033"
                           y3="4.19784"
                           yFract="0.49737441"
                           z3="8.53302"
                           zFract="0.3840243"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10897"
                           xFract="0.24987796"
                           y3="4.21877"
                           yFract="0.49985427"
                           z3="4.23967"
                           zFract="0.19080423"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26103"
                           xFract="0.50486137"
                           y3="6.31653"
                           yFract="0.74840403"
                           z3="8.50134"
                           zFract="0.38259856"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12511"
                           xFract="0.25179028"
                           y3="8.4367"
                           yFract="0.999609"
                           z3="4.21809"
                           zFract="0.18983303"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26464"
                           xFract="0.5052891"
                           y3="2.1248"
                           yFract="0.25175355"
                           z3="8.56925"
                           zFract="0.38565482"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09202"
                           xFract="0.24786967"
                           y3="2.11289"
                           yFract="0.25034242"
                           z3="6.43994"
                           zFract="0.28982628"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22728"
                           xFract="0.50086256"
                           y3="6.3107"
                           yFract="0.74771327"
                           z3="4.25357"
                           zFract="0.19142979"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42828"
                           xFract="0.99861137"
                           y3="4.21949"
                           yFract="0.49993957"
                           z3="6.42879"
                           zFract="0.28932448"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09281"
                           xFract="0.24796327"
                           y3="4.21111"
                           yFract="0.49894668"
                           z3="8.67704"
                           zFract="0.39050585"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00432"
                           xFract="-0.00051185"
                           y3="6.24809"
                           yFract="0.74029502"
                           z3="8.76753"
                           zFract="0.39457831"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35144"
                           xFract="0.75254028"
                           y3="6.31987"
                           yFract="0.74879976"
                           z3="6.41597"
                           zFract="0.28874752"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37987"
                           xFract="0.75590877"
                           y3="2.12101"
                           yFract="0.2513045"
                           z3="6.47298"
                           zFract="0.29131323"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23973"
                           xFract="0.50233768"
                           y3="-0.00447"
                           yFract="-0.00052962"
                           z3="6.40453"
                           zFract="0.28823267"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02147"
                           xFract="0.00254384"
                           y3="2.19507"
                           yFract="0.26007938"
                           z3="8.77702"
                           zFract="0.3950054"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00104"
                           xFract="0.00012322"
                           y3="2.13872"
                           yFract="0.25340284"
                           z3="4.25391"
                           zFract="0.19144509"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06797"
                           xFract="0.24502014"
                           y3="6.29722"
                           yFract="0.74611611"
                           z3="6.46882"
                           zFract="0.29112601"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01022"
                           xFract="0.0012109"
                           y3="6.30748"
                           yFract="0.74733175"
                           z3="4.2267"
                           zFract="0.19022052"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.2378"
                           xFract="0.502109"
                           y3="2.11524"
                           yFract="0.25062085"
                           z3="4.2880"
                           zFract="0.1929793"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.3272"
                           xFract="0.74966825"
                           y3="0.06364"
                           yFract="0.00754028"
                           z3="8.55287"
                           zFract="0.38491764"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21811"
                           xFract="0.26280924"
                           y3="0.00064"
                           yFract="0.00007583"
                           z3="8.53529"
                           zFract="0.38412646"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20596"
                           xFract="0.49833649"
                           y3="4.20413"
                           yFract="0.49811967"
                           z3="6.42365"
                           zFract="0.28909316"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33176"
                           xFract="0.75020853"
                           y3="0.00927"
                           yFract="0.00109834"
                           z3="4.24513"
                           zFract="0.19104995"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03279"
                           xFract="0.00388507"
                           y3="1.99868"
                           yFract="0.23681043"
                           z3="6.34895"
                           zFract="0.28573132"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9662"
                           xFract="0.23296209"
                           y3="0.01073"
                           yFract="0.00127133"
                           z3="6.36878"
                           zFract="0.28662376"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0169"
                           xFract="0.00200237"
                           y3="0.00531"
                           yFract="0.00062915"
                           z3="4.16598"
                           zFract="0.18748785"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26188"
                           xFract="0.97889573"
                           y3="8.33375"
                           yFract="0.98741114"
                           z3="9.26492"
                           zFract="0.4169631"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14326"
                           xFract="0.25394076"
                           y3="2.10129"
                           yFract="0.24896801"
                           z3="4.27026"
                           zFract="0.19218092"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11414"
                           xFract="0.25049052"
                           y3="2.04384"
                           yFract="0.24216114"
                           z3="8.58619"
                           zFract="0.38641719"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20894"
                           xFract="0.49868957"
                           y3="2.01968"
                           yFract="0.23929858"
                           z3="6.48502"
                           zFract="0.29185509"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.54399"
                           xFract="0.77535427"
                           y3="0.09677"
                           yFract="0.01146564"
                           z3="6.46313"
                           zFract="0.29086994"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22305"
                           xFract="0.50036137"
                           y3="8.40066"
                           yFract="0.99533886"
                           z3="4.17707"
                           zFract="0.18798695"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34242"
                           xFract="0.51450474"
                           y3="8.43261"
                           yFract="0.99912441"
                           z3="8.76352"
                           zFract="0.39439784"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31819"
                           xFract="0.74860071"
                           y3="2.17347"
                           yFract="0.25752014"
                           z3="4.14318"
                           zFract="0.18646175"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37526"
                           xFract="0.75536256"
                           y3="2.26521"
                           yFract="0.26838981"
                           z3="8.78269"
                           zFract="0.39526058"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41796"
                           xFract="0.99738863"
                           y3="6.50151"
                           yFract="0.77032109"
                           z3="6.32352"
                           zFract="0.28458686"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08339"
                           xFract="0.24684716"
                           y3="4.20417"
                           yFract="0.49812441"
                           z3="6.30772"
                           zFract="0.28387579"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00461"
                           xFract="0.00054621"
                           y3="4.22465"
                           yFract="0.50055095"
                           z3="4.35259"
                           zFract="0.19588614"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37617"
                           xFract="0.9924372"
                           y3="4.25171"
                           yFract="0.50375711"
                           z3="8.49717"
                           zFract="0.38241089"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15775"
                           xFract="0.25565758"
                           y3="6.32666"
                           yFract="0.74960427"
                           z3="4.19667"
                           zFract="0.18886904"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.1362"
                           xFract="0.25310427"
                           y3="6.3914"
                           yFract="0.75727488"
                           z3="8.60781"
                           zFract="0.38739019"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23907"
                           xFract="0.50225948"
                           y3="6.40373"
                           yFract="0.75873578"
                           z3="6.40325"
                           zFract="0.28817507"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33859"
                           xFract="0.75101777"
                           y3="4.11791"
                           yFract="0.48790403"
                           z3="6.30395"
                           zFract="0.28370612"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21519"
                           xFract="0.49943009"
                           y3="4.23865"
                           yFract="0.50220972"
                           z3="4.24383"
                           zFract="0.19099145"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.2903"
                           xFract="0.50832938"
                           y3="4.21598"
                           yFract="0.4995237"
                           z3="8.55132"
                           zFract="0.38484788"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29653"
                           xFract="0.74603436"
                           y3="6.25724"
                           yFract="0.74137915"
                           z3="4.29439"
                           zFract="0.19326688"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34958"
                           xFract="0.75231991"
                           y3="6.15276"
                           yFract="0.7290"
                           z3="8.49553"
                           zFract="0.38233708"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.76">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27501"
                           xFract="0.98045142"
                           y3="-0.04923"
                           yFract="-0.00583294"
                           z3="10.24313"
                           zFract="0.46098695"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33241"
                           xFract="0.75028555"
                           y3="4.20854"
                           yFract="0.49864218"
                           z3="4.23368"
                           zFract="0.19053465"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02927"
                           xFract="0.00346801"
                           y3="0.03053"
                           yFract="0.0036173"
                           z3="6.31774"
                           zFract="0.28432673"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34087"
                           xFract="0.75128791"
                           y3="4.19782"
                           yFract="0.49737204"
                           z3="8.53269"
                           zFract="0.38400945"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10907"
                           xFract="0.24988981"
                           y3="4.21847"
                           yFract="0.49981872"
                           z3="4.23935"
                           zFract="0.19078983"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26088"
                           xFract="0.5048436"
                           y3="6.31624"
                           yFract="0.74836967"
                           z3="8.50137"
                           zFract="0.38259991"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12476"
                           xFract="0.25174882"
                           y3="8.43672"
                           yFract="0.99961137"
                           z3="4.21767"
                           zFract="0.18981413"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26471"
                           xFract="0.50529739"
                           y3="2.12533"
                           yFract="0.25181635"
                           z3="8.56925"
                           zFract="0.38565482"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09186"
                           xFract="0.24785071"
                           y3="2.11297"
                           yFract="0.2503519"
                           z3="6.43973"
                           zFract="0.28981683"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.2271"
                           xFract="0.50084123"
                           y3="6.31081"
                           yFract="0.7477263"
                           z3="4.2537"
                           zFract="0.19143564"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.4287"
                           xFract="0.99866114"
                           y3="4.21986"
                           yFract="0.49998341"
                           z3="6.42856"
                           zFract="0.28931413"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09329"
                           xFract="0.24802014"
                           y3="4.21109"
                           yFract="0.49894431"
                           z3="8.67679"
                           zFract="0.3904946"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00438"
                           xFract="-0.00051896"
                           y3="6.24853"
                           yFract="0.74034716"
                           z3="8.76682"
                           zFract="0.39454635"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35144"
                           xFract="0.75254028"
                           y3="6.31994"
                           yFract="0.74880806"
                           z3="6.41558"
                           zFract="0.28872997"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37954"
                           xFract="0.75586967"
                           y3="2.12123"
                           yFract="0.25133057"
                           z3="6.47284"
                           zFract="0.29130693"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23963"
                           xFract="0.50232583"
                           y3="-0.00442"
                           yFract="-0.0005237"
                           z3="6.40411"
                           zFract="0.28821377"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02111"
                           xFract="0.00250118"
                           y3="2.19481"
                           yFract="0.26004858"
                           z3="8.77659"
                           zFract="0.39498605"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00147"
                           xFract="0.00017417"
                           y3="2.13845"
                           yFract="0.25337085"
                           z3="4.25343"
                           zFract="0.19142349"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06775"
                           xFract="0.24499408"
                           y3="6.29706"
                           yFract="0.74609716"
                           z3="6.46873"
                           zFract="0.29112196"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01045"
                           xFract="0.00123815"
                           y3="6.30764"
                           yFract="0.74735071"
                           z3="4.22626"
                           zFract="0.19020072"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23748"
                           xFract="0.50207109"
                           y3="2.11528"
                           yFract="0.25062559"
                           z3="4.28803"
                           zFract="0.19298065"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32735"
                           xFract="0.74968602"
                           y3="0.06329"
                           yFract="0.00749882"
                           z3="8.55219"
                           zFract="0.38488704"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21839"
                           xFract="0.26284242"
                           y3="0.00074"
                           yFract="0.00008768"
                           z3="8.53499"
                           zFract="0.38411296"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20629"
                           xFract="0.49837559"
                           y3="4.2041"
                           yFract="0.49811611"
                           z3="6.42366"
                           zFract="0.28909361"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33151"
                           xFract="0.75017891"
                           y3="0.00908"
                           yFract="0.00107583"
                           z3="4.24509"
                           zFract="0.19104815"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03255"
                           xFract="0.00385664"
                           y3="1.99827"
                           yFract="0.23676185"
                           z3="6.34886"
                           zFract="0.28572727"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.9670"
                           xFract="0.23305687"
                           y3="0.01064"
                           yFract="0.00126066"
                           z3="6.3688"
                           zFract="0.28662466"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01675"
                           xFract="0.0019846"
                           y3="0.00538"
                           yFract="0.00063744"
                           z3="4.16666"
                           zFract="0.18751845"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26287"
                           xFract="0.97901303"
                           y3="8.33476"
                           yFract="0.98753081"
                           z3="9.26349"
                           zFract="0.41689874"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14338"
                           xFract="0.25395498"
                           y3="2.10101"
                           yFract="0.24893483"
                           z3="4.27018"
                           zFract="0.19217732"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11464"
                           xFract="0.25054976"
                           y3="2.04388"
                           yFract="0.24216588"
                           z3="8.58595"
                           zFract="0.38640639"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20854"
                           xFract="0.49864218"
                           y3="2.01948"
                           yFract="0.23927488"
                           z3="6.4847"
                           zFract="0.29184068"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.54396"
                           xFract="0.77535071"
                           y3="0.09685"
                           yFract="0.01147512"
                           z3="6.46259"
                           zFract="0.29084563"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22294"
                           xFract="0.50034834"
                           y3="8.40071"
                           yFract="0.99534479"
                           z3="4.17643"
                           zFract="0.18795815"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34159"
                           xFract="0.5144064"
                           y3="8.43263"
                           yFract="0.99912678"
                           z3="8.76582"
                           zFract="0.39450135"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3178"
                           xFract="0.7485545"
                           y3="2.17351"
                           yFract="0.25752488"
                           z3="4.14306"
                           zFract="0.18645635"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37503"
                           xFract="0.75533531"
                           y3="2.26498"
                           yFract="0.26836256"
                           z3="8.78217"
                           zFract="0.39523717"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41778"
                           xFract="0.9973673"
                           y3="6.50168"
                           yFract="0.77034123"
                           z3="6.32311"
                           zFract="0.28456841"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08356"
                           xFract="0.2468673"
                           y3="4.20415"
                           yFract="0.49812204"
                           z3="6.30708"
                           zFract="0.28384698"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00413"
                           xFract="0.00048934"
                           y3="4.22451"
                           yFract="0.50053436"
                           z3="4.35269"
                           zFract="0.19589064"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3762"
                           xFract="0.99244076"
                           y3="4.25147"
                           yFract="0.50372867"
                           z3="8.49673"
                           zFract="0.38239109"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15774"
                           xFract="0.2556564"
                           y3="6.32659"
                           yFract="0.74959597"
                           z3="4.19666"
                           zFract="0.18886859"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13666"
                           xFract="0.25315877"
                           y3="6.3914"
                           yFract="0.75727488"
                           z3="8.60753"
                           zFract="0.38737759"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23876"
                           xFract="0.50222275"
                           y3="6.40433"
                           yFract="0.75880687"
                           z3="6.40312"
                           zFract="0.28816922"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33869"
                           xFract="0.75102962"
                           y3="4.11797"
                           yFract="0.48791114"
                           z3="6.3035"
                           zFract="0.28368587"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2154"
                           xFract="0.49945498"
                           y3="4.23867"
                           yFract="0.50221209"
                           z3="4.24385"
                           zFract="0.19099235"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29055"
                           xFract="0.508359"
                           y3="4.2161"
                           yFract="0.49953791"
                           z3="8.55062"
                           zFract="0.38481638"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29623"
                           xFract="0.74599882"
                           y3="6.25702"
                           yFract="0.74135308"
                           z3="4.29391"
                           zFract="0.19324527"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34959"
                           xFract="0.75232109"
                           y3="6.15313"
                           yFract="0.72904384"
                           z3="8.4956"
                           zFract="0.38234023"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.77">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27526"
                           xFract="0.98048104"
                           y3="-0.04903"
                           yFract="-0.00580924"
                           z3="10.24229"
                           zFract="0.46094914"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.3324"
                           xFract="0.75028436"
                           y3="4.20856"
                           yFract="0.49864455"
                           z3="4.2337"
                           zFract="0.19053555"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02882"
                           xFract="0.00341469"
                           y3="0.03041"
                           yFract="0.00360308"
                           z3="6.31738"
                           zFract="0.28431053"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34064"
                           xFract="0.75126066"
                           y3="4.19781"
                           yFract="0.49737085"
                           z3="8.5326"
                           zFract="0.3840054"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.1091"
                           xFract="0.24989336"
                           y3="4.21838"
                           yFract="0.49980806"
                           z3="4.23926"
                           zFract="0.19078578"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26083"
                           xFract="0.50483768"
                           y3="6.31616"
                           yFract="0.74836019"
                           z3="8.50138"
                           zFract="0.38260036"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12465"
                           xFract="0.25173578"
                           y3="8.43672"
                           yFract="0.99961137"
                           z3="4.21754"
                           zFract="0.18980828"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26473"
                           xFract="0.50529976"
                           y3="2.12548"
                           yFract="0.25183412"
                           z3="8.56925"
                           zFract="0.38565482"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09181"
                           xFract="0.24784479"
                           y3="2.11299"
                           yFract="0.25035427"
                           z3="6.43967"
                           zFract="0.28981413"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22704"
                           xFract="0.50083412"
                           y3="6.31085"
                           yFract="0.74773104"
                           z3="4.25374"
                           zFract="0.19143744"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42883"
                           xFract="0.99867654"
                           y3="4.21997"
                           yFract="0.49999645"
                           z3="6.42849"
                           zFract="0.28931098"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09342"
                           xFract="0.24803555"
                           y3="4.21108"
                           yFract="0.49894313"
                           z3="8.67672"
                           zFract="0.39049145"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00439"
                           xFract="-0.00052014"
                           y3="6.24866"
                           yFract="0.74036256"
                           z3="8.76662"
                           zFract="0.39453735"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35143"
                           xFract="0.7525391"
                           y3="6.31997"
                           yFract="0.74881161"
                           z3="6.41547"
                           zFract="0.28872502"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37945"
                           xFract="0.755859"
                           y3="2.1213"
                           yFract="0.25133886"
                           z3="6.4728"
                           zFract="0.29130513"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.2396"
                           xFract="0.50232227"
                           y3="-0.00441"
                           yFract="-0.00052251"
                           z3="6.40399"
                           zFract="0.28820837"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02101"
                           xFract="0.00248934"
                           y3="2.19474"
                           yFract="0.26004028"
                           z3="8.77647"
                           zFract="0.39498065"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00159"
                           xFract="0.00018839"
                           y3="2.13838"
                           yFract="0.25336256"
                           z3="4.25329"
                           zFract="0.19141719"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06768"
                           xFract="0.24498578"
                           y3="6.29701"
                           yFract="0.74609123"
                           z3="6.4687"
                           zFract="0.29112061"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01052"
                           xFract="0.00124645"
                           y3="6.30769"
                           yFract="0.74735664"
                           z3="4.22613"
                           zFract="0.19019487"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23738"
                           xFract="0.50205924"
                           y3="2.11529"
                           yFract="0.25062678"
                           z3="4.28804"
                           zFract="0.1929811"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32739"
                           xFract="0.74969076"
                           y3="0.06319"
                           yFract="0.00748697"
                           z3="8.5520"
                           zFract="0.38487849"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21847"
                           xFract="0.2628519"
                           y3="0.00077"
                           yFract="0.00009123"
                           z3="8.5349"
                           zFract="0.38410891"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20639"
                           xFract="0.49838744"
                           y3="4.20408"
                           yFract="0.49811374"
                           z3="6.42366"
                           zFract="0.28909361"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.33144"
                           xFract="0.75017062"
                           y3="0.00903"
                           yFract="0.00106991"
                           z3="4.24508"
                           zFract="0.1910477"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03247"
                           xFract="0.00384716"
                           y3="1.99815"
                           yFract="0.23674763"
                           z3="6.34883"
                           zFract="0.28572592"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96724"
                           xFract="0.23308531"
                           y3="0.01062"
                           yFract="0.00125829"
                           z3="6.36881"
                           zFract="0.28662511"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01671"
                           xFract="0.00197986"
                           y3="0.0054"
                           yFract="0.00063981"
                           z3="4.16686"
                           zFract="0.18752745"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26316"
                           xFract="0.97904739"
                           y3="8.33505"
                           yFract="0.98756517"
                           z3="9.26307"
                           zFract="0.41687984"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14342"
                           xFract="0.25395972"
                           y3="2.10093"
                           yFract="0.24892536"
                           z3="4.27016"
                           zFract="0.19217642"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11479"
                           xFract="0.25056754"
                           y3="2.04389"
                           yFract="0.24216706"
                           z3="8.58588"
                           zFract="0.38640324"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20843"
                           xFract="0.49862915"
                           y3="2.01942"
                           yFract="0.23926777"
                           z3="6.48461"
                           zFract="0.29183663"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.54395"
                           xFract="0.77534953"
                           y3="0.09688"
                           yFract="0.01147867"
                           z3="6.46244"
                           zFract="0.29083888"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22291"
                           xFract="0.50034479"
                           y3="8.40073"
                           yFract="0.99534716"
                           z3="4.17624"
                           zFract="0.18794959"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34134"
                           xFract="0.51437678"
                           y3="8.43263"
                           yFract="0.99912678"
                           z3="8.76649"
                           zFract="0.3945315"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31769"
                           xFract="0.74854147"
                           y3="2.17352"
                           yFract="0.25752607"
                           z3="4.14303"
                           zFract="0.186455"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37497"
                           xFract="0.7553282"
                           y3="2.26491"
                           yFract="0.26835427"
                           z3="8.78202"
                           zFract="0.39523042"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41773"
                           xFract="0.99736137"
                           y3="6.50173"
                           yFract="0.77034716"
                           z3="6.32299"
                           zFract="0.28456301"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.0836"
                           xFract="0.24687204"
                           y3="4.20415"
                           yFract="0.49812204"
                           z3="6.30689"
                           zFract="0.28383843"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00399"
                           xFract="0.00047275"
                           y3="4.22447"
                           yFract="0.50052962"
                           z3="4.35272"
                           zFract="0.19589199"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3762"
                           xFract="0.99244076"
                           y3="4.25141"
                           yFract="0.50372156"
                           z3="8.4966"
                           zFract="0.38238524"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15773"
                           xFract="0.25565521"
                           y3="6.32656"
                           yFract="0.74959242"
                           z3="4.19666"
                           zFract="0.18886859"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13679"
                           xFract="0.25317417"
                           y3="6.39141"
                           yFract="0.75727607"
                           z3="8.60744"
                           zFract="0.38737354"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23868"
                           xFract="0.50221327"
                           y3="6.4045"
                           yFract="0.75882701"
                           z3="6.40308"
                           zFract="0.28816742"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33872"
                           xFract="0.75103318"
                           y3="4.11799"
                           yFract="0.48791351"
                           z3="6.30337"
                           zFract="0.28368002"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21546"
                           xFract="0.49946209"
                           y3="4.23867"
                           yFract="0.50221209"
                           z3="4.24386"
                           zFract="0.1909928"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29062"
                           xFract="0.5083673"
                           y3="4.21613"
                           yFract="0.49954147"
                           z3="8.55041"
                           zFract="0.38480693"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29615"
                           xFract="0.74598934"
                           y3="6.25696"
                           yFract="0.74134597"
                           z3="4.29377"
                           zFract="0.19323897"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.3496"
                           xFract="0.75232227"
                           y3="6.15324"
                           yFract="0.72905687"
                           z3="8.49562"
                           zFract="0.38234113"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.78">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27501"
                           xFract="0.98045142"
                           y3="-0.04926"
                           yFract="-0.00583649"
                           z3="10.24251"
                           zFract="0.46095905"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33241"
                           xFract="0.75028555"
                           y3="4.20856"
                           yFract="0.49864455"
                           z3="4.23372"
                           zFract="0.19053645"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.02917"
                           xFract="0.00345616"
                           y3="0.03047"
                           yFract="0.00361019"
                           z3="6.31773"
                           zFract="0.28432628"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34083"
                           xFract="0.75128318"
                           y3="4.19781"
                           yFract="0.49737085"
                           z3="8.53267"
                           zFract="0.38400855"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10909"
                           xFract="0.24989218"
                           y3="4.21847"
                           yFract="0.49981872"
                           z3="4.23935"
                           zFract="0.19078983"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26089"
                           xFract="0.50484479"
                           y3="6.31621"
                           yFract="0.74836611"
                           z3="8.50135"
                           zFract="0.38259901"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12477"
                           xFract="0.25175"
                           y3="8.43672"
                           yFract="0.99961137"
                           z3="4.21764"
                           zFract="0.18981278"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26473"
                           xFract="0.50529976"
                           y3="2.12535"
                           yFract="0.25181872"
                           z3="8.56922"
                           zFract="0.38565347"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09188"
                           xFract="0.24785308"
                           y3="2.11299"
                           yFract="0.25035427"
                           z3="6.43971"
                           zFract="0.28981593"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22711"
                           xFract="0.50084242"
                           y3="6.31081"
                           yFract="0.7477263"
                           z3="4.2537"
                           zFract="0.19143564"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42871"
                           xFract="0.99866232"
                           y3="4.21987"
                           yFract="0.4999846"
                           z3="6.42853"
                           zFract="0.28931278"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09329"
                           xFract="0.24802014"
                           y3="4.2111"
                           yFract="0.4989455"
                           z3="8.67677"
                           zFract="0.3904937"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.0044"
                           xFract="-0.00052133"
                           y3="6.24856"
                           yFract="0.74035071"
                           z3="8.7668"
                           zFract="0.39454545"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35145"
                           xFract="0.75254147"
                           y3="6.31995"
                           yFract="0.74880924"
                           z3="6.41558"
                           zFract="0.28872997"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37953"
                           xFract="0.75586848"
                           y3="2.12123"
                           yFract="0.25133057"
                           z3="6.47286"
                           zFract="0.29130783"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23963"
                           xFract="0.50232583"
                           y3="-0.00444"
                           yFract="-0.00052607"
                           z3="6.4041"
                           zFract="0.28821332"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02109"
                           xFract="0.00249882"
                           y3="2.19481"
                           yFract="0.26004858"
                           z3="8.77657"
                           zFract="0.39498515"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00148"
                           xFract="0.00017536"
                           y3="2.13844"
                           yFract="0.25336967"
                           z3="4.2534"
                           zFract="0.19142214"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06774"
                           xFract="0.24499289"
                           y3="6.29705"
                           yFract="0.74609597"
                           z3="6.46871"
                           zFract="0.29112106"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01045"
                           xFract="0.00123815"
                           y3="6.30766"
                           yFract="0.74735308"
                           z3="4.22625"
                           zFract="0.19020027"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23748"
                           xFract="0.50207109"
                           y3="2.11526"
                           yFract="0.25062322"
                           z3="4.28804"
                           zFract="0.1929811"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32738"
                           xFract="0.74968957"
                           y3="0.0633"
                           yFract="0.0075"
                           z3="8.5522"
                           zFract="0.38488749"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21836"
                           xFract="0.26283886"
                           y3="0.00073"
                           yFract="0.00008649"
                           z3="8.53499"
                           zFract="0.38411296"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.2063"
                           xFract="0.49837678"
                           y3="4.20408"
                           yFract="0.49811374"
                           z3="6.42365"
                           zFract="0.28909316"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3315"
                           xFract="0.75017773"
                           y3="0.00908"
                           yFract="0.00107583"
                           z3="4.2451"
                           zFract="0.1910486"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03255"
                           xFract="0.00385664"
                           y3="1.99829"
                           yFract="0.23676422"
                           z3="6.34885"
                           zFract="0.28572682"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96707"
                           xFract="0.23306517"
                           y3="0.01064"
                           yFract="0.00126066"
                           z3="6.36881"
                           zFract="0.28662511"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01677"
                           xFract="0.00198697"
                           y3="0.00538"
                           yFract="0.00063744"
                           z3="4.16671"
                           zFract="0.1875207"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26293"
                           xFract="0.97902014"
                           y3="8.33479"
                           yFract="0.98753436"
                           z3="9.26403"
                           zFract="0.41692304"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14337"
                           xFract="0.25395379"
                           y3="2.10097"
                           yFract="0.24893009"
                           z3="4.27019"
                           zFract="0.19217777"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11467"
                           xFract="0.25055332"
                           y3="2.04386"
                           yFract="0.24216351"
                           z3="8.58594"
                           zFract="0.38640594"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.2085"
                           xFract="0.49863744"
                           y3="2.01948"
                           yFract="0.23927488"
                           z3="6.48468"
                           zFract="0.29183978"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.54397"
                           xFract="0.7753519"
                           y3="0.09687"
                           yFract="0.01147749"
                           z3="6.46256"
                           zFract="0.29084428"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.2229"
                           xFract="0.5003436"
                           y3="8.40073"
                           yFract="0.99534716"
                           z3="4.17641"
                           zFract="0.18795725"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.3415"
                           xFract="0.51439573"
                           y3="8.43262"
                           yFract="0.99912559"
                           z3="8.76582"
                           zFract="0.39450135"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.31779"
                           xFract="0.74855332"
                           y3="2.17353"
                           yFract="0.25752725"
                           z3="4.14305"
                           zFract="0.1864559"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37504"
                           xFract="0.75533649"
                           y3="2.2650"
                           yFract="0.26836493"
                           z3="8.78215"
                           zFract="0.39523627"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41778"
                           xFract="0.9973673"
                           y3="6.50168"
                           yFract="0.77034123"
                           z3="6.32309"
                           zFract="0.28456751"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08356"
                           xFract="0.2468673"
                           y3="4.20415"
                           yFract="0.49812204"
                           z3="6.30706"
                           zFract="0.28384608"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00411"
                           xFract="0.00048697"
                           y3="4.22451"
                           yFract="0.50053436"
                           z3="4.35267"
                           zFract="0.19588974"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.3762"
                           xFract="0.99244076"
                           y3="4.25147"
                           yFract="0.50372867"
                           z3="8.4967"
                           zFract="0.38238974"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15773"
                           xFract="0.25565521"
                           y3="6.3266"
                           yFract="0.74959716"
                           z3="4.19667"
                           zFract="0.18886904"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13667"
                           xFract="0.25315995"
                           y3="6.39142"
                           yFract="0.75727725"
                           z3="8.60752"
                           zFract="0.38737714"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23874"
                           xFract="0.50222038"
                           y3="6.40435"
                           yFract="0.75880924"
                           z3="6.40312"
                           zFract="0.28816922"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33871"
                           xFract="0.75103199"
                           y3="4.11796"
                           yFract="0.48790995"
                           z3="6.30347"
                           zFract="0.28368452"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.2154"
                           xFract="0.49945498"
                           y3="4.23868"
                           yFract="0.50221327"
                           z3="4.24383"
                           zFract="0.19099145"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29057"
                           xFract="0.50836137"
                           y3="4.2161"
                           yFract="0.49953791"
                           z3="8.55057"
                           zFract="0.38481413"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29623"
                           xFract="0.74599882"
                           y3="6.25699"
                           yFract="0.74134953"
                           z3="4.2939"
                           zFract="0.19324482"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34961"
                           xFract="0.75232346"
                           y3="6.15311"
                           yFract="0.72904147"
                           z3="8.49561"
                           zFract="0.38234068"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 10 40 10" elementType="H Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.79">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
                     <atom elementType="H"
                           id="a1"
                           x3="8.27427"
                           xFract="0.98036374"
                           y3="-0.04993"
                           yFract="-0.00591588"
                           z3="10.24319"
                           zFract="0.46098965"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="6.33246"
                           xFract="0.75029147"
                           y3="4.20857"
                           yFract="0.49864573"
                           z3="4.23376"
                           zFract="0.19053825"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="0.03024"
                           xFract="0.00358294"
                           y3="0.03067"
                           yFract="0.00363389"
                           z3="6.31879"
                           zFract="0.28437399"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="6.34141"
                           xFract="0.7513519"
                           y3="4.19781"
                           yFract="0.49737085"
                           z3="8.53289"
                           zFract="0.38401845"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a11"
                           x3="2.10909"
                           xFract="0.24989218"
                           y3="4.21872"
                           yFract="0.49984834"
                           z3="4.23961"
                           zFract="0.19080153"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="4.26105"
                           xFract="0.50486374"
                           y3="6.31638"
                           yFract="0.74838626"
                           z3="8.50127"
                           zFract="0.38259541"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12511"
                           xFract="0.25179028"
                           y3="8.43673"
                           yFract="0.99961256"
                           z3="4.21795"
                           zFract="0.18982673"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.26474"
                           xFract="0.50530095"
                           y3="2.12497"
                           yFract="0.2517737"
                           z3="8.56911"
                           zFract="0.38564851"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="2.09208"
                           xFract="0.24787678"
                           y3="2.11302"
                           yFract="0.25035782"
                           z3="6.43982"
                           zFract="0.28982088"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="4.22732"
                           xFract="0.5008673"
                           y3="6.31071"
                           yFract="0.74771445"
                           z3="4.25358"
                           zFract="0.19143024"/>
                     <atom elementType="Mg"
                           id="a21"
                           x3="8.42835"
                           xFract="0.99861967"
                           y3="4.21959"
                           yFract="0.49995142"
                           z3="6.42864"
                           zFract="0.28931773"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="2.09287"
                           xFract="0.24797038"
                           y3="4.21115"
                           yFract="0.49895142"
                           z3="8.67692"
                           zFract="0.39050045"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="-0.00444"
                           xFract="-0.00052607"
                           y3="6.24824"
                           yFract="0.7403128"
                           z3="8.76735"
                           zFract="0.39457021"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="6.35148"
                           xFract="0.75254502"
                           y3="6.3199"
                           yFract="0.74880332"
                           z3="6.41591"
                           zFract="0.28874482"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="6.37975"
                           xFract="0.75589455"
                           y3="2.12103"
                           yFract="0.25130687"
                           z3="6.47303"
                           zFract="0.29131548"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="4.23971"
                           xFract="0.50233531"
                           y3="-0.00452"
                           yFract="-0.00053555"
                           z3="6.40445"
                           zFract="0.28822907"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a31"
                           x3="0.02133"
                           xFract="0.00252725"
                           y3="2.19503"
                           yFract="0.26007464"
                           z3="8.77689"
                           zFract="0.39499955"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.00116"
                           xFract="0.00013744"
                           y3="2.13864"
                           yFract="0.25339336"
                           z3="4.25374"
                           zFract="0.19143744"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="2.06791"
                           xFract="0.24501303"
                           y3="6.29716"
                           yFract="0.746109"
                           z3="6.46873"
                           zFract="0.29112196"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="0.01024"
                           xFract="0.00121327"
                           y3="6.30756"
                           yFract="0.74734123"
                           z3="4.22664"
                           zFract="0.19021782"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.23776"
                           xFract="0.50210427"
                           y3="2.11516"
                           yFract="0.25061137"
                           z3="4.28803"
                           zFract="0.19298065"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="6.32734"
                           xFract="0.74968483"
                           y3="0.06361"
                           yFract="0.00753673"
                           z3="8.55281"
                           zFract="0.38491494"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.21803"
                           xFract="0.26279976"
                           y3="0.00061"
                           yFract="0.00007227"
                           z3="8.53523"
                           zFract="0.38412376"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="4.20603"
                           xFract="0.49834479"
                           y3="4.20406"
                           yFract="0.49811137"
                           z3="6.42362"
                           zFract="0.28909181"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="6.3317"
                           xFract="0.75020142"
                           y3="0.00922"
                           yFract="0.00109242"
                           z3="4.24514"
                           zFract="0.19105041"/>
                     <atom elementType="Zn"
                           id="a41"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a42"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a43"
                           x3="0.03277"
                           xFract="0.0038827"
                           y3="1.9987"
                           yFract="0.2368128"
                           z3="6.34889"
                           zFract="0.28572862"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a45"
                           x3="1.96658"
                           xFract="0.23300711"
                           y3="0.0107"
                           yFract="0.00126777"
                           z3="6.3688"
                           zFract="0.28662466"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01693"
                           xFract="0.00200592"
                           y3="0.00534"
                           yFract="0.0006327"
                           z3="4.16625"
                           zFract="0.1875"/>
                     <atom elementType="O"
                           id="a48"
                           x3="8.26226"
                           xFract="0.97894076"
                           y3="8.3340"
                           yFract="0.98744076"
                           z3="9.2669"
                           zFract="0.41705221"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.14324"
                           xFract="0.25393839"
                           y3="2.10111"
                           yFract="0.24894668"
                           z3="4.27028"
                           zFract="0.19218182"/>
                     <atom elementType="O"
                           id="a51"
                           x3="2.11431"
                           xFract="0.25051066"
                           y3="2.04376"
                           yFract="0.24215166"
                           z3="8.58613"
                           zFract="0.38641449"/>
                     <atom elementType="O"
                           id="a52"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a53"
                           x3="4.20873"
                           xFract="0.49866469"
                           y3="2.01965"
                           yFract="0.23929502"
                           z3="6.48491"
                           zFract="0.29185014"/>
                     <atom elementType="O"
                           id="a54"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a55"
                           x3="6.54403"
                           xFract="0.775359"
                           y3="0.09683"
                           yFract="0.01147275"
                           z3="6.46295"
                           zFract="0.29086184"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.22288"
                           xFract="0.50034123"
                           y3="8.40073"
                           yFract="0.99534716"
                           z3="4.1769"
                           zFract="0.1879793"/>
                     <atom elementType="O"
                           id="a58"
                           x3="4.34199"
                           xFract="0.51445379"
                           y3="8.43257"
                           yFract="0.99911967"
                           z3="8.76382"
                           zFract="0.39441134"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.3181"
                           xFract="0.74859005"
                           y3="2.17355"
                           yFract="0.25752962"
                           z3="4.1431"
                           zFract="0.18645815"/>
                     <atom elementType="O"
                           id="a61"
                           x3="6.37527"
                           xFract="0.75536374"
                           y3="2.26526"
                           yFract="0.26839573"
                           z3="8.78255"
                           zFract="0.39525428"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a63"
                           x3="8.41793"
                           xFract="0.99738507"
                           y3="6.50155"
                           yFract="0.77032583"
                           z3="6.32339"
                           zFract="0.28458101"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a65"
                           x3="2.08341"
                           xFract="0.24684953"
                           y3="4.20414"
                           yFract="0.49812085"
                           z3="6.30754"
                           zFract="0.28386769"/>
                     <atom elementType="O"
                           id="a66"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a67"
                           x3="0.00448"
                           xFract="0.00053081"
                           y3="4.22461"
                           yFract="0.50054621"
                           z3="4.3525"
                           zFract="0.19588209"/>
                     <atom elementType="O"
                           id="a68"
                           x3="8.37619"
                           xFract="0.99243957"
                           y3="4.25167"
                           yFract="0.50375237"
                           z3="8.4970"
                           zFract="0.38240324"/>
                     <atom elementType="O"
                           id="a69"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a70"
                           x3="2.15771"
                           xFract="0.25565284"
                           y3="6.32672"
                           yFract="0.74961137"
                           z3="4.19671"
                           zFract="0.18887084"/>
                     <atom elementType="O"
                           id="a71"
                           x3="2.13633"
                           xFract="0.25311967"
                           y3="6.39148"
                           yFract="0.75728436"
                           z3="8.60775"
                           zFract="0.38738749"/>
                     <atom elementType="O"
                           id="a72"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a73"
                           x3="4.23895"
                           xFract="0.50224526"
                           y3="6.40389"
                           yFract="0.75875474"
                           z3="6.40324"
                           zFract="0.28817462"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a75"
                           x3="6.33866"
                           xFract="0.75102607"
                           y3="4.11787"
                           yFract="0.48789929"
                           z3="6.30378"
                           zFract="0.28369847"/>
                     <atom elementType="O"
                           id="a76"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a77"
                           x3="4.21524"
                           xFract="0.49943602"
                           y3="4.23871"
                           yFract="0.50221682"
                           z3="4.24376"
                           zFract="0.1909883"/>
                     <atom elementType="O"
                           id="a78"
                           x3="4.29042"
                           xFract="0.5083436"
                           y3="4.21602"
                           yFract="0.49952844"
                           z3="8.55105"
                           zFract="0.38483573"/>
                     <atom elementType="O"
                           id="a79"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a80"
                           x3="6.29647"
                           xFract="0.74602725"
                           y3="6.25707"
                           yFract="0.741359"
                           z3="4.2943"
                           zFract="0.19326283"/>
                     <atom elementType="O"
                           id="a81"
                           x3="6.34966"
                           xFract="0.75232938"
                           y3="6.15272"
                           yFract="0.72899526"
                           z3="8.49557"
                           zFract="0.38233888"/>
                  </atomArray>
                  <bondArray>
                     <bond atomRefs2="a2 a79" order="S"/>
                     <bond atomRefs2="a2 a74" order="S"/>
                     <bond atomRefs2="a2 a76" order="S"/>
                     <bond atomRefs2="a2 a59" order="S"/>
                     <bond atomRefs2="a3 a42" order="S"/>
                     <bond atomRefs2="a3 a46" order="S"/>
                     <bond atomRefs2="a3 a49" order="S"/>
                     <bond atomRefs2="a3 a66" order="S"/>
                     <bond atomRefs2="a4 a72" order="S"/>
                     <bond atomRefs2="a4 a76" order="S"/>
                     <bond atomRefs2="a4 a74" order="S"/>
                     <bond atomRefs2="a4 a52" order="S"/>
                     <bond atomRefs2="a4 a64" order="S"/>
                     <bond atomRefs2="a4 a77" order="S"/>
                     <bond atomRefs2="a5 a49" order="S"/>
                     <bond atomRefs2="a5 a44" order="S"/>
                     <bond atomRefs2="a5 a42" order="S"/>
                     <bond atomRefs2="a5 a64" order="S"/>
                     <bond atomRefs2="a5 a52" order="S"/>
                     <bond atomRefs2="a6 a60" order="S"/>
                     <bond atomRefs2="a6 a75" order="S"/>
                     <bond atomRefs2="a6 a80" order="S"/>
                     <bond atomRefs2="a6 a74" order="S"/>
                     <bond atomRefs2="a6 a77" order="S"/>
                     <bond atomRefs2="a7 a43" order="S"/>
                     <bond atomRefs2="a7 a45" order="S"/>
                     <bond atomRefs2="a7 a47" order="S"/>
                     <bond atomRefs2="a8 a78" order="S"/>
                     <bond atomRefs2="a8 a61" order="S"/>
                     <bond atomRefs2="a8 a81" order="S"/>
                     <bond atomRefs2="a8 a68" order="S"/>
                     <bond atomRefs2="a9 a70" order="S"/>
                     <bond atomRefs2="a9 a69" order="S"/>
                     <bond atomRefs2="a9 a64" order="S"/>
                     <bond atomRefs2="a9 a62" order="S"/>
                     <bond atomRefs2="a9 a72" order="S"/>
                     <bond atomRefs2="a10 a56" order="S"/>
                     <bond atomRefs2="a10 a52" order="S"/>
                     <bond atomRefs2="a10 a54" order="S"/>
                     <bond atomRefs2="a10 a44" order="S"/>
                     <bond atomRefs2="a11 a65" order="S"/>
                     <bond atomRefs2="a11 a70" order="S"/>
                     <bond atomRefs2="a11 a77" order="S"/>
                     <bond atomRefs2="a11 a67" order="S"/>
                     <bond atomRefs2="a11 a64" order="S"/>
                     <bond atomRefs2="a11 a50" order="S"/>
                     <bond atomRefs2="a12 a62" order="S"/>
                     <bond atomRefs2="a12 a66" order="S"/>
                     <bond atomRefs2="a12 a69" order="S"/>
                     <bond atomRefs2="a13 a78" order="S"/>
                     <bond atomRefs2="a13 a73" order="S"/>
                     <bond atomRefs2="a13 a81" order="S"/>
                     <bond atomRefs2="a13 a58" order="S"/>
                     <bond atomRefs2="a13 a71" order="S"/>
                     <bond atomRefs2="a14 a47" order="S"/>
                     <bond atomRefs2="a14 a46" order="S"/>
                     <bond atomRefs2="a14 a42" order="S"/>
                     <bond atomRefs2="a14 a44" order="S"/>
                     <bond atomRefs2="a15 a70" order="S"/>
                     <bond atomRefs2="a15 a20" order="S"/>
                     <bond atomRefs2="a15 a57" order="S"/>
                     <bond atomRefs2="a16 a59" order="S"/>
                     <bond atomRefs2="a16 a54" order="S"/>
                     <bond atomRefs2="a16 a60" order="S"/>
                     <bond atomRefs2="a16 a52" order="S"/>
                     <bond atomRefs2="a16 a74" order="S"/>
                     <bond atomRefs2="a17 a78" order="S"/>
                     <bond atomRefs2="a17 a36" order="S"/>
                     <bond atomRefs2="a17 a61" order="S"/>
                     <bond atomRefs2="a17 a19" order="S"/>
                     <bond atomRefs2="a17 a51" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a53" order="S"/>
                     <bond atomRefs2="a18 a72" order="S"/>
                     <bond atomRefs2="a18 a76" order="S"/>
                     <bond atomRefs2="a18 a79" order="S"/>
                     <bond atomRefs2="a18 a69" order="S"/>
                     <bond atomRefs2="a19 a65" order="S"/>
                     <bond atomRefs2="a19 a50" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a53" order="S"/>
                     <bond atomRefs2="a19 a43" order="S"/>
                     <bond atomRefs2="a19 a45" order="S"/>
                     <bond atomRefs2="a20 a80" order="S"/>
                     <bond atomRefs2="a20 a72" order="S"/>
                     <bond atomRefs2="a20 a57" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a70" order="S"/>
                     <bond atomRefs2="a20 a77" order="S"/>
                     <bond atomRefs2="a21 a63" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a22 a51" order="S"/>
                     <bond atomRefs2="a23 a71" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a74" order="S"/>
                     <bond atomRefs2="a24 a72" order="S"/>
                     <bond atomRefs2="a25 a80" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a73" order="S"/>
                     <bond atomRefs2="a25 a81" order="S"/>
                     <bond atomRefs2="a26 a49" order="S"/>
                     <bond atomRefs2="a26 a44" order="S"/>
                     <bond atomRefs2="a26 a46" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a27 a55" order="S"/>
                     <bond atomRefs2="a27 a75" order="S"/>
                     <bond atomRefs2="a27 a53" order="S"/>
                     <bond atomRefs2="a28 a59" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a56" order="S"/>
                     <bond atomRefs2="a29 a53" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a64" order="S"/>
                     <bond atomRefs2="a30 a42" order="S"/>
                     <bond atomRefs2="a31 a51" order="S"/>
                     <bond atomRefs2="a32 a50" order="S"/>
                     <bond atomRefs2="a32 a47" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a33 a65" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a73" order="S"/>
                     <bond atomRefs2="a34 a70" order="S"/>
                     <bond atomRefs2="a34 a67" order="S"/>
                     <bond atomRefs2="a34 a62" order="S"/>
                     <bond atomRefs2="a35 a60" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a50" order="S"/>
                     <bond atomRefs2="a35 a53" order="S"/>
                     <bond atomRefs2="a35 a77" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a37 a69" order="S"/>
                     <bond atomRefs2="a37 a64" order="S"/>
                     <bond atomRefs2="a37 a66" order="S"/>
                     <bond atomRefs2="a37 a49" order="S"/>
                     <bond atomRefs2="a37 a76" order="S"/>
                     <bond atomRefs2="a38 a51" order="S"/>
                     <bond atomRefs2="a38 a45" order="S"/>
                     <bond atomRefs2="a39 a65" order="S"/>
                     <bond atomRefs2="a39 a53" order="S"/>
                     <bond atomRefs2="a39 a77" order="S"/>
                     <bond atomRefs2="a39 a78" order="S"/>
                     <bond atomRefs2="a39 a75" order="S"/>
                     <bond atomRefs2="a39 a73" order="S"/>
                     <bond atomRefs2="a40 a54" order="S"/>
                     <bond atomRefs2="a40 a60" order="S"/>
                     <bond atomRefs2="a40 a55" order="S"/>
                     <bond atomRefs2="a41 a59" order="S"/>
                     <bond atomRefs2="a41 a52" order="S"/>
                     <bond atomRefs2="a41 a56" order="S"/>
                     <bond atomRefs2="a41 a76" order="S"/>
                     <bond atomRefs2="a41 a49" order="S"/>
                  </bondArray>
                  <formula concise="HCu10Mg10Ni10O40Zn10">
                     <atomArray count="1 10 10 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">0.001 0.005 0.007 0.006 0.003 0.002 0.012 0.014 0.004 0.005 -0.003 0.002 -0.001 0.001 0.001 0.001 -0.001 -0.000 0.001 -0.000 0.000 0.005 0.001 0.002 -0.002 -0.003 0.002 0.010 0.002 0.000 0.003 0.001 0.003 -0.001 -0.001 0.003 0.008 -0.001 0.001 -0.006 0.005 0.010 0.005 0.015 0.002 0.004 0.004 -0.001 0.010 0.008 -0.003 0.013 0.002 0.007 0.003 0.004 0.003 -0.000 0.006 -0.003 -0.000 0.001 0.004 0.015 0.004 0.008 0.001 0.001 0.006 0.008 -0.003 0.009 0.002 0.005 0.002 0.008 0.004 0.001 0.002 -0.003 -0.000</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="81">-0.000 0.004 0.008 0.003 0.004 0.011 0.006 0.002 0.003 0.004 -0.005 0.003 -0.002 0.004 0.002 0.003 -0.001 0.000 0.003 -0.000 0.001 0.005 -0.002 0.003 -0.000 -0.002 -0.001 0.007 0.003 0.002 -0.003 0.002 0.006 -0.001 -0.001 0.001 0.009 -0.001 0.000 -0.005 0.005 0.163 0.068 0.164 0.001 0.064 0.101 -0.030 0.144 0.110 -0.032 0.119 0.024 0.112 0.081 0.065 0.011 -0.025 0.051 -0.009 0.023 -0.006 0.061 0.149 0.066 0.113 0.015 -0.107 0.078 0.101 -0.037 0.036 0.024 0.075 0.142 0.101 0.043 -0.020 -0.014 0.022 0.027</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="81">0.000 1.180 1.488 1.252 1.521 -1.190 0.647 0.807 1.224 1.353 1.409 0.001 -0.001 0.002 0.001 0.001 -0.001 -0.000 0.001 -0.000 -0.000 -0.164 -0.344 -0.048 0.460 0.232 0.511 -0.161 -0.236 -0.004 -0.291 0.009 0.010 0.001 0.001 -0.000 0.004 -0.002 -0.001 -0.001 0.006 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">0.001 1.189 1.502 1.261 1.529 -1.178 0.666 0.822 1.231 1.361 1.401 0.005 -0.003 0.007 0.003 0.006 -0.002 -0.000 0.006 -0.001 0.001 -0.155 -0.346 -0.043 0.457 0.227 0.512 -0.144 -0.230 -0.002 -0.290 0.011 0.019 -0.001 -0.001 0.004 0.021 -0.003 0.001 -0.012 0.016 0.173 0.073 0.179 0.002 0.069 0.105 -0.031 0.154 0.118 -0.034 0.132 0.026 0.119 0.085 0.069 0.013 -0.025 0.057 -0.013 0.023 -0.005 0.065 0.164 0.071 0.121 0.016 -0.107 0.084 0.110 -0.040 0.046 0.025 0.080 0.145 0.109 0.047 -0.018 -0.012 0.020 0.027</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.255</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">2.154</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">9.676</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">12.085</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-427.38522969</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-427.37792380</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-427.38157675</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.5967</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1510455E-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="8.27427"
                        xFract="0.98036374"
                        y3="-0.04993"
                        yFract="-0.00591588"
                        z3="10.24319"
                        zFract="0.46098965"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="6.33246"
                        xFract="0.75029147"
                        y3="4.20857"
                        yFract="0.49864573"
                        z3="4.23376"
                        zFract="0.19053825"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="0.03024"
                        xFract="0.00358294"
                        y3="0.03067"
                        yFract="0.00363389"
                        z3="6.31879"
                        zFract="0.28437399"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="6.34141"
                        xFract="0.7513519"
                        y3="4.19781"
                        yFract="0.49737085"
                        z3="8.53289"
                        zFract="0.38401845"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a11"
                        x3="2.10909"
                        xFract="0.24989218"
                        y3="4.21872"
                        yFract="0.49984834"
                        z3="4.23961"
                        zFract="0.19080153"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="4.26105"
                        xFract="0.50486374"
                        y3="6.31638"
                        yFract="0.74838626"
                        z3="8.50127"
                        zFract="0.38259541"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.12511"
                        xFract="0.25179028"
                        y3="8.43673"
                        yFract="0.99961256"
                        z3="4.21795"
                        zFract="0.18982673"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="4.26474"
                        xFract="0.50530095"
                        y3="2.12497"
                        yFract="0.2517737"
                        z3="8.56911"
                        zFract="0.38564851"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="2.09208"
                        xFract="0.24787678"
                        y3="2.11302"
                        yFract="0.25035782"
                        z3="6.43982"
                        zFract="0.28982088"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="4.22732"
                        xFract="0.5008673"
                        y3="6.31071"
                        yFract="0.74771445"
                        z3="4.25358"
                        zFract="0.19143024"/>
                  <atom elementType="Mg"
                        id="a21"
                        x3="8.42835"
                        xFract="0.99861967"
                        y3="4.21959"
                        yFract="0.49995142"
                        z3="6.42864"
                        zFract="0.28931773"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="2.09287"
                        xFract="0.24797038"
                        y3="4.21115"
                        yFract="0.49895142"
                        z3="8.67692"
                        zFract="0.39050045"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="-0.00444"
                        xFract="-0.00052607"
                        y3="6.24824"
                        yFract="0.7403128"
                        z3="8.76735"
                        zFract="0.39457021"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.35148"
                        xFract="0.75254502"
                        y3="6.3199"
                        yFract="0.74880332"
                        z3="6.41591"
                        zFract="0.28874482"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="6.37975"
                        xFract="0.75589455"
                        y3="2.12103"
                        yFract="0.25130687"
                        z3="6.47303"
                        zFract="0.29131548"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.23971"
                        xFract="0.50233531"
                        y3="-0.00452"
                        yFract="-0.00053555"
                        z3="6.40445"
                        zFract="0.28822907"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="0.02133"
                        xFract="0.00252725"
                        y3="2.19503"
                        yFract="0.26007464"
                        z3="8.77689"
                        zFract="0.39499955"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.00116"
                        xFract="0.00013744"
                        y3="2.13864"
                        yFract="0.25339336"
                        z3="4.25374"
                        zFract="0.19143744"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="2.06791"
                        xFract="0.24501303"
                        y3="6.29716"
                        yFract="0.746109"
                        z3="6.46873"
                        zFract="0.29112196"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="0.01024"
                        xFract="0.00121327"
                        y3="6.30756"
                        yFract="0.74734123"
                        z3="4.22664"
                        zFract="0.19021782"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.23776"
                        xFract="0.50210427"
                        y3="2.11516"
                        yFract="0.25061137"
                        z3="4.28803"
                        zFract="0.19298065"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="6.32734"
                        xFract="0.74968483"
                        y3="0.06361"
                        yFract="0.00753673"
                        z3="8.55281"
                        zFract="0.38491494"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.21803"
                        xFract="0.26279976"
                        y3="0.00061"
                        yFract="0.00007227"
                        z3="8.53523"
                        zFract="0.38412376"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="4.20603"
                        xFract="0.49834479"
                        y3="4.20406"
                        yFract="0.49811137"
                        z3="6.42362"
                        zFract="0.28909181"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="6.3317"
                        xFract="0.75020142"
                        y3="0.00922"
                        yFract="0.00109242"
                        z3="4.24514"
                        zFract="0.19105041"/>
                  <atom elementType="Zn"
                        id="a41"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a42"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a43"
                        x3="0.03277"
                        xFract="0.0038827"
                        y3="1.9987"
                        yFract="0.2368128"
                        z3="6.34889"
                        zFract="0.28572862"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a45"
                        x3="1.96658"
                        xFract="0.23300711"
                        y3="0.0107"
                        yFract="0.00126777"
                        z3="6.3688"
                        zFract="0.28662466"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.01693"
                        xFract="0.00200592"
                        y3="0.00534"
                        yFract="0.0006327"
                        z3="4.16625"
                        zFract="0.1875"/>
                  <atom elementType="O"
                        id="a48"
                        x3="8.26226"
                        xFract="0.97894076"
                        y3="8.3340"
                        yFract="0.98744076"
                        z3="9.2669"
                        zFract="0.41705221"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.14324"
                        xFract="0.25393839"
                        y3="2.10111"
                        yFract="0.24894668"
                        z3="4.27028"
                        zFract="0.19218182"/>
                  <atom elementType="O"
                        id="a51"
                        x3="2.11431"
                        xFract="0.25051066"
                        y3="2.04376"
                        yFract="0.24215166"
                        z3="8.58613"
                        zFract="0.38641449"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a53"
                        x3="4.20873"
                        xFract="0.49866469"
                        y3="2.01965"
                        yFract="0.23929502"
                        z3="6.48491"
                        zFract="0.29185014"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a55"
                        x3="6.54403"
                        xFract="0.775359"
                        y3="0.09683"
                        yFract="0.01147275"
                        z3="6.46295"
                        zFract="0.29086184"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.22288"
                        xFract="0.50034123"
                        y3="8.40073"
                        yFract="0.99534716"
                        z3="4.1769"
                        zFract="0.1879793"/>
                  <atom elementType="O"
                        id="a58"
                        x3="4.34199"
                        xFract="0.51445379"
                        y3="8.43257"
                        yFract="0.99911967"
                        z3="8.76382"
                        zFract="0.39441134"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.3181"
                        xFract="0.74859005"
                        y3="2.17355"
                        yFract="0.25752962"
                        z3="4.1431"
                        zFract="0.18645815"/>
                  <atom elementType="O"
                        id="a61"
                        x3="6.37527"
                        xFract="0.75536374"
                        y3="2.26526"
                        yFract="0.26839573"
                        z3="8.78255"
                        zFract="0.39525428"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a63"
                        x3="8.41793"
                        xFract="0.99738507"
                        y3="6.50155"
                        yFract="0.77032583"
                        z3="6.32339"
                        zFract="0.28458101"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a65"
                        x3="2.08341"
                        xFract="0.24684953"
                        y3="4.20414"
                        yFract="0.49812085"
                        z3="6.30754"
                        zFract="0.28386769"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.00448"
                        xFract="0.00053081"
                        y3="4.22461"
                        yFract="0.50054621"
                        z3="4.3525"
                        zFract="0.19588209"/>
                  <atom elementType="O"
                        id="a68"
                        x3="8.37619"
                        xFract="0.99243957"
                        y3="4.25167"
                        yFract="0.50375237"
                        z3="8.4970"
                        zFract="0.38240324"/>
                  <atom elementType="O"
                        id="a69"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a70"
                        x3="2.15771"
                        xFract="0.25565284"
                        y3="6.32672"
                        yFract="0.74961137"
                        z3="4.19671"
                        zFract="0.18887084"/>
                  <atom elementType="O"
                        id="a71"
                        x3="2.13633"
                        xFract="0.25311967"
                        y3="6.39148"
                        yFract="0.75728436"
                        z3="8.60775"
                        zFract="0.38738749"/>
                  <atom elementType="O"
                        id="a72"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a73"
                        x3="4.23895"
                        xFract="0.50224526"
                        y3="6.40389"
                        yFract="0.75875474"
                        z3="6.40324"
                        zFract="0.28817462"/>
                  <atom elementType="O"
                        id="a74"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a75"
                        x3="6.33866"
                        xFract="0.75102607"
                        y3="4.11787"
                        yFract="0.48789929"
                        z3="6.30378"
                        zFract="0.28369847"/>
                  <atom elementType="O"
                        id="a76"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a77"
                        x3="4.21524"
                        xFract="0.49943602"
                        y3="4.23871"
                        yFract="0.50221682"
                        z3="4.24376"
                        zFract="0.1909883"/>
                  <atom elementType="O"
                        id="a78"
                        x3="4.29042"
                        xFract="0.5083436"
                        y3="4.21602"
                        yFract="0.49952844"
                        z3="8.55105"
                        zFract="0.38483573"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.29647"
                        xFract="0.74602725"
                        y3="6.25707"
                        yFract="0.741359"
                        z3="4.2943"
                        zFract="0.19326283"/>
                  <atom elementType="O"
                        id="a81"
                        x3="6.34966"
                        xFract="0.75232938"
                        y3="6.15272"
                        yFract="0.72899526"
                        z3="8.49557"
                        zFract="0.38233888"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a79" order="S"/>
                  <bond atomRefs2="a2 a74" order="S"/>
                  <bond atomRefs2="a2 a76" order="S"/>
                  <bond atomRefs2="a2 a59" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a49" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a4 a72" order="S"/>
                  <bond atomRefs2="a4 a76" order="S"/>
                  <bond atomRefs2="a4 a74" order="S"/>
                  <bond atomRefs2="a4 a52" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a4 a77" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a44" order="S"/>
                  <bond atomRefs2="a5 a42" order="S"/>
                  <bond atomRefs2="a5 a64" order="S"/>
                  <bond atomRefs2="a5 a52" order="S"/>
                  <bond atomRefs2="a6 a60" order="S"/>
                  <bond atomRefs2="a6 a75" order="S"/>
                  <bond atomRefs2="a6 a80" order="S"/>
                  <bond atomRefs2="a6 a74" order="S"/>
                  <bond atomRefs2="a6 a77" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a45" order="S"/>
                  <bond atomRefs2="a7 a47" order="S"/>
                  <bond atomRefs2="a8 a78" order="S"/>
                  <bond atomRefs2="a8 a61" order="S"/>
                  <bond atomRefs2="a8 a81" order="S"/>
                  <bond atomRefs2="a8 a68" order="S"/>
                  <bond atomRefs2="a9 a70" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a9 a64" order="S"/>
                  <bond atomRefs2="a9 a62" order="S"/>
                  <bond atomRefs2="a9 a72" order="S"/>
                  <bond atomRefs2="a10 a56" order="S"/>
                  <bond atomRefs2="a10 a52" order="S"/>
                  <bond atomRefs2="a10 a54" order="S"/>
                  <bond atomRefs2="a10 a44" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a11 a70" order="S"/>
                  <bond atomRefs2="a11 a77" order="S"/>
                  <bond atomRefs2="a11 a67" order="S"/>
                  <bond atomRefs2="a11 a64" order="S"/>
                  <bond atomRefs2="a11 a50" order="S"/>
                  <bond atomRefs2="a12 a62" order="S"/>
                  <bond atomRefs2="a12 a66" order="S"/>
                  <bond atomRefs2="a12 a69" order="S"/>
                  <bond atomRefs2="a13 a78" order="S"/>
                  <bond atomRefs2="a13 a73" order="S"/>
                  <bond atomRefs2="a13 a81" order="S"/>
                  <bond atomRefs2="a13 a58" order="S"/>
                  <bond atomRefs2="a13 a71" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a46" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a15 a70" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a57" order="S"/>
                  <bond atomRefs2="a16 a59" order="S"/>
                  <bond atomRefs2="a16 a54" order="S"/>
                  <bond atomRefs2="a16 a60" order="S"/>
                  <bond atomRefs2="a16 a52" order="S"/>
                  <bond atomRefs2="a16 a74" order="S"/>
                  <bond atomRefs2="a17 a78" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a17 a61" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a51" order="S"/>
                  <bond atomRefs2="a17 a38" order="S"/>
                  <bond atomRefs2="a17 a53" order="S"/>
                  <bond atomRefs2="a18 a72" order="S"/>
                  <bond atomRefs2="a18 a76" order="S"/>
                  <bond atomRefs2="a18 a79" order="S"/>
                  <bond atomRefs2="a18 a69" order="S"/>
                  <bond atomRefs2="a19 a65" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a51" order="S"/>
                  <bond atomRefs2="a19 a53" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a19 a45" order="S"/>
                  <bond atomRefs2="a20 a80" order="S"/>
                  <bond atomRefs2="a20 a72" order="S"/>
                  <bond atomRefs2="a20 a57" order="S"/>
                  <bond atomRefs2="a20 a73" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a20 a77" order="S"/>
                  <bond atomRefs2="a21 a63" order="S"/>
                  <bond atomRefs2="a21 a68" order="S"/>
                  <bond atomRefs2="a21 a75" order="S"/>
                  <bond atomRefs2="a22 a51" order="S"/>
                  <bond atomRefs2="a23 a71" order="S"/>
                  <bond atomRefs2="a24 a79" order="S"/>
                  <bond atomRefs2="a24 a74" order="S"/>
                  <bond atomRefs2="a24 a72" order="S"/>
                  <bond atomRefs2="a25 a80" order="S"/>
                  <bond atomRefs2="a25 a63" order="S"/>
                  <bond atomRefs2="a25 a73" order="S"/>
                  <bond atomRefs2="a25 a81" order="S"/>
                  <bond atomRefs2="a26 a49" order="S"/>
                  <bond atomRefs2="a26 a44" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a56" order="S"/>
                  <bond atomRefs2="a27 a55" order="S"/>
                  <bond atomRefs2="a27 a75" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a28 a59" order="S"/>
                  <bond atomRefs2="a28 a54" order="S"/>
                  <bond atomRefs2="a28 a56" order="S"/>
                  <bond atomRefs2="a29 a53" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a30 a62" order="S"/>
                  <bond atomRefs2="a30 a64" order="S"/>
                  <bond atomRefs2="a30 a42" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a32 a50" order="S"/>
                  <bond atomRefs2="a32 a47" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a32 a43" order="S"/>
                  <bond atomRefs2="a32 a67" order="S"/>
                  <bond atomRefs2="a33 a65" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a33 a73" order="S"/>
                  <bond atomRefs2="a34 a70" order="S"/>
                  <bond atomRefs2="a34 a67" order="S"/>
                  <bond atomRefs2="a34 a62" order="S"/>
                  <bond atomRefs2="a35 a60" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a35 a50" order="S"/>
                  <bond atomRefs2="a35 a53" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a36 a55" order="S"/>
                  <bond atomRefs2="a36 a61" order="S"/>
                  <bond atomRefs2="a37 a69" order="S"/>
                  <bond atomRefs2="a37 a64" order="S"/>
                  <bond atomRefs2="a37 a66" order="S"/>
                  <bond atomRefs2="a37 a49" order="S"/>
                  <bond atomRefs2="a37 a76" order="S"/>
                  <bond atomRefs2="a38 a51" order="S"/>
                  <bond atomRefs2="a38 a45" order="S"/>
                  <bond atomRefs2="a39 a65" order="S"/>
                  <bond atomRefs2="a39 a53" order="S"/>
                  <bond atomRefs2="a39 a77" order="S"/>
                  <bond atomRefs2="a39 a78" order="S"/>
                  <bond atomRefs2="a39 a75" order="S"/>
                  <bond atomRefs2="a39 a73" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a60" order="S"/>
                  <bond atomRefs2="a40 a55" order="S"/>
                  <bond atomRefs2="a41 a59" order="S"/>
                  <bond atomRefs2="a41 a52" order="S"/>
                  <bond atomRefs2="a41 a56" order="S"/>
                  <bond atomRefs2="a41 a76" order="S"/>
                  <bond atomRefs2="a41 a49" order="S"/>
               </bondArray>
               <formula concise="HCu10Mg10Ni10O40Zn10">
                  <atomArray count="1 10 10 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>
