<?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">6.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">05Apr23 (build May 18 2023 13:19:41) complex</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>
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                        id="a1"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
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                        id="a7"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
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                        id="a9"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.109789"
                        zFract="0.09495"/>
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                        id="a12"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
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                        id="a14"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
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                        id="a15"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
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                        id="a18"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a20"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a21"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="4.2198002"
                        zFract="0.18991"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
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                        id="a24"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
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                        id="a25"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.109789"
                        zFract="0.09495"/>
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                        id="a26"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.109789"
                        zFract="0.09495"/>
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                        id="a27"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.109789"
                        zFract="0.09495"/>
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                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="6.32958876"
                        zFract="0.28485998"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="4.2198002"
                        zFract="0.18991"/>
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                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a32"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="6.32958876"
                        zFract="0.28485998"/>
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                        xFract="0.5000"
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                        zFract="0.0000"/>
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                        y3="2.1100"
                        yFract="0.2500"
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                        xFract="0.2500"
                        y3="2.1100"
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                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                  <bond atomRefs2="a38 a49" order="S"/>
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                  <bond atomRefs2="a38 a64" order="S"/>
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                  <bond atomRefs2="a39 a62" order="S"/>
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                  <bond atomRefs2="a40 a72" order="S"/>
               </bondArray>
               <formula concise="Cu10Mg10Ni10O40Zn10">
                  <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
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               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2759.510000000007</scalar>
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               <parameter dictRef="v:nwrite">
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               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
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               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.5000</scalar>
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               <parameter dictRef="cc:temp">
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               <parameter dictRef="v:idipol">
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                  <scalar dataType="xsd:string">0</scalar>
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                         dictRef="v:pseudopotential"
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               </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>
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                           id="a1"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="4.2198"
                           zFract="0.18990999"/>
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                           id="a2"
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                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
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                           id="a4"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="4.2198"
                           zFract="0.18990999"/>
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                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a6"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="6.32959"
                           zFract="0.28486004"/>
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                           id="a7"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="8.4396"
                           zFract="0.37981998"/>
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                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
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                           id="a9"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="4.2198"
                           zFract="0.18990999"/>
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                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="8.4396"
                           zFract="0.37981998"/>
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                           id="a13"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
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                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a15"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="6.32959"
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                           id="a16"
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                           xFract="0.5000"
                           y3="2.1100"
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                           z3="8.4396"
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                           id="a17"
                           x3="2.1100"
                           xFract="0.2500"
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                           z3="8.4396"
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                           id="a18"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
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                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a41" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a61" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a30 a69" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a56" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a59" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a50" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a52" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a69" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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="Ni"
                           id="a1"
                           x3="2.10326"
                           xFract="0.24920142"
                           y3="-0.00291"
                           yFract="-0.00034479"
                           z3="4.22322"
                           zFract="0.19006391"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.00704"
                           xFract="-0.00083412"
                           y3="-0.00405"
                           yFract="-0.00047986"
                           z3="6.32692"
                           zFract="0.28473987"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.0062"
                           xFract="0.0007346"
                           y3="2.11065"
                           yFract="0.25007701"
                           z3="4.2179"
                           zFract="0.18982448"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2277"
                           xFract="0.50091232"
                           y3="-0.00448"
                           yFract="-0.00053081"
                           z3="6.33437"
                           zFract="0.28507516"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23092"
                           xFract="0.50129384"
                           y3="6.32012"
                           yFract="0.74882938"
                           z3="8.42395"
                           zFract="0.37911566"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1082"
                           xFract="0.24978673"
                           y3="4.22216"
                           yFract="0.50025592"
                           z3="4.21532"
                           zFract="0.18970837"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.32992"
                           xFract="0.74999052"
                           y3="4.22689"
                           yFract="0.50081635"
                           z3="4.22915"
                           zFract="0.19033078"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.32825"
                           xFract="0.74979265"
                           y3="-0.01726"
                           yFract="-0.00204502"
                           z3="8.41402"
                           zFract="0.37866877"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.00902"
                           xFract="-0.00106872"
                           y3="2.11813"
                           yFract="0.25096327"
                           z3="8.42071"
                           zFract="0.37896985"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.33112"
                           xFract="0.7501327"
                           y3="2.11873"
                           yFract="0.25103436"
                           z3="6.32124"
                           zFract="0.28448425"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.22906"
                           xFract="0.50107346"
                           y3="2.12615"
                           yFract="0.25191351"
                           z3="8.41622"
                           zFract="0.37876778"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.11944"
                           xFract="0.25111848"
                           y3="4.23333"
                           yFract="0.50157938"
                           z3="8.41684"
                           zFract="0.37879568"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11173"
                           xFract="0.25020498"
                           y3="-0.01346"
                           yFract="-0.00159479"
                           z3="8.41429"
                           zFract="0.37868092"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.33622"
                           xFract="0.75073697"
                           y3="-0.00662"
                           yFract="-0.00078436"
                           z3="4.22381"
                           zFract="0.19009046"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32283"
                           xFract="0.74915047"
                           y3="4.22589"
                           yFract="0.50069787"
                           z3="8.47594"
                           zFract="0.38145545"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22667"
                           xFract="0.50079028"
                           y3="4.22301"
                           yFract="0.50035664"
                           z3="6.33821"
                           zFract="0.28524797"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33225"
                           xFract="0.75026659"
                           y3="6.32913"
                           yFract="0.74989692"
                           z3="6.33376"
                           zFract="0.2850477"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00277"
                           xFract="-0.0003282"
                           y3="6.33125"
                           yFract="0.7501481"
                           z3="4.21243"
                           zFract="0.18957831"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01076"
                           xFract="-0.00127488"
                           y3="4.2260"
                           yFract="0.5007109"
                           z3="6.33334"
                           zFract="0.2850288"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22423"
                           xFract="0.50050118"
                           y3="6.32578"
                           yFract="0.7495"
                           z3="4.21909"
                           zFract="0.18987804"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21714"
                           xFract="0.49966114"
                           y3="2.11429"
                           yFract="0.25050829"
                           z3="4.21591"
                           zFract="0.18973492"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.10651"
                           xFract="0.24958649"
                           y3="2.11123"
                           yFract="0.25014573"
                           z3="6.32747"
                           zFract="0.28476463"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.00986"
                           xFract="-0.00116825"
                           y3="6.32441"
                           yFract="0.74933768"
                           z3="8.43991"
                           zFract="0.37983393"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10691"
                           xFract="0.24963389"
                           y3="6.32857"
                           yFract="0.74983057"
                           z3="6.3328"
                           zFract="0.2850045"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.01782"
                           xFract="-0.00211137"
                           y3="2.08888"
                           yFract="0.24749763"
                           z3="6.32558"
                           zFract="0.28467957"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.11293"
                           xFract="0.25034716"
                           y3="0.00261"
                           yFract="0.00030924"
                           z3="6.32412"
                           zFract="0.28461386"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.02347"
                           xFract="0.00278081"
                           y3="0.01993"
                           yFract="0.00236137"
                           z3="4.22492"
                           zFract="0.19014041"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00243"
                           xFract="0.00028791"
                           y3="0.01284"
                           yFract="0.00152133"
                           z3="8.4608"
                           zFract="0.38077408"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.09426"
                           xFract="0.24813507"
                           y3="2.1082"
                           yFract="0.24978673"
                           z3="4.22488"
                           zFract="0.19013861"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11143"
                           xFract="0.25016943"
                           y3="2.10756"
                           yFract="0.2497109"
                           z3="8.48142"
                           zFract="0.38170207"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
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                           x3="4.23915"
                           xFract="0.50226896"
                           y3="2.08399"
                           yFract="0.24691825"
                           z3="6.34323"
                           zFract="0.2854739"/>
                     <atom elementType="O"
                           id="a53"
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                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.74961137"
                           y3="0.01685"
                           yFract="0.00199645"
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                           zFract="0.28563771"/>
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                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
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                           xFract="0.49748697"
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                           xFract="0.49973578"
                           y3="0.00608"
                           yFract="0.00072038"
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                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
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                           xFract="0.75176066"
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                           yFract="0.25237204"
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                           zFract="0.19078533"/>
                     <atom elementType="O"
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                           xFract="0.74978791"
                           y3="2.09314"
                           yFract="0.24800237"
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                           zFract="0.38020207"/>
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                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.00126066"
                           y3="6.35142"
                           yFract="0.75253791"
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                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           x3="2.09409"
                           xFract="0.24811493"
                           y3="4.21771"
                           yFract="0.49972867"
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                     <atom elementType="O"
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                           xFract="0.0000"
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                           yFract="0.5000"
                           z3="0.0000"
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                           x3="0.00121"
                           xFract="0.00014336"
                           y3="4.19816"
                           yFract="0.49741232"
                           z3="4.2127"
                           zFract="0.18959046"/>
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                           xFract="0.00185308"
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                           yFract="0.49877133"
                           z3="8.46668"
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                     <atom elementType="O"
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
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                           xFract="0.25237441"
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                           yFract="0.7503673"
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                           xFract="0.25082938"
                           y3="6.33188"
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                           z3="8.4674"
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                           x3="4.2200"
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                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
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                     <bond atomRefs2="a38 a64" order="S"/>
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                     <bond atomRefs2="a39 a62" order="S"/>
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                     <bond atomRefs2="a40 a72" order="S"/>
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                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
                  </formula>
                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
                  </property>
               </molecule>
               <molecule id="calculation.position.4">
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                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                  <atomArray>
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                           x3="2.10249"
                           xFract="0.24911019"
                           y3="-0.00324"
                           yFract="-0.00038389"
                           z3="4.22361"
                           zFract="0.19008146"/>
                     <atom elementType="Ni"
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                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.00785"
                           xFract="-0.00093009"
                           y3="-0.00452"
                           yFract="-0.00053555"
                           z3="6.32661"
                           zFract="0.28472592"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.00691"
                           xFract="0.00081872"
                           y3="2.11072"
                           yFract="0.25008531"
                           z3="4.21768"
                           zFract="0.18981458"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.22858"
                           xFract="0.50101659"
                           y3="-0.00499"
                           yFract="-0.00059123"
                           z3="6.33492"
                           zFract="0.28509991"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23218"
                           xFract="0.50144313"
                           y3="6.31899"
                           yFract="0.7486955"
                           z3="8.42215"
                           zFract="0.37903465"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.10799"
                           xFract="0.24976185"
                           y3="4.22241"
                           yFract="0.50028555"
                           z3="4.21481"
                           zFract="0.18968542"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.32991"
                           xFract="0.74998934"
                           y3="4.22768"
                           yFract="0.50090995"
                           z3="4.23023"
                           zFract="0.19037939"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.32805"
                           xFract="0.74976896"
                           y3="-0.01924"
                           yFract="-0.00227962"
                           z3="8.41109"
                           zFract="0.3785369"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.01005"
                           xFract="-0.00119076"
                           y3="2.11906"
                           yFract="0.25107346"
                           z3="8.41855"
                           zFract="0.37887264"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.33125"
                           xFract="0.7501481"
                           y3="2.11973"
                           yFract="0.25115284"
                           z3="6.32028"
                           zFract="0.28444104"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2301"
                           xFract="0.50119668"
                           y3="2.1280"
                           yFract="0.2521327"
                           z3="8.41355"
                           zFract="0.37864761"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.12052"
                           xFract="0.25124645"
                           y3="4.23486"
                           yFract="0.50176066"
                           z3="8.41423"
                           zFract="0.37867822"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11193"
                           xFract="0.25022867"
                           y3="-0.0150"
                           yFract="-0.00177725"
                           z3="8.4114"
                           zFract="0.37855086"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.33693"
                           xFract="0.75082109"
                           y3="-0.00738"
                           yFract="-0.00087441"
                           z3="4.22427"
                           zFract="0.19011116"/>
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                           id="a22"
                           x3="6.32201"
                           xFract="0.74905332"
                           y3="4.22656"
                           yFract="0.50077725"
                           z3="8.4801"
                           zFract="0.38164266"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22744"
                           xFract="0.50088152"
                           y3="4.22336"
                           yFract="0.5003981"
                           z3="6.3392"
                           zFract="0.28529253"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33251"
                           xFract="0.75029739"
                           y3="6.32903"
                           yFract="0.74988507"
                           z3="6.33423"
                           zFract="0.28506886"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a30"
                           x3="-0.00309"
                           xFract="-0.00036611"
                           y3="6.33139"
                           yFract="0.75016469"
                           z3="4.21158"
                           zFract="0.18954005"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01199"
                           xFract="-0.00142062"
                           y3="4.22669"
                           yFract="0.50079265"
                           z3="6.33377"
                           zFract="0.28504815"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22472"
                           xFract="0.50055924"
                           y3="6.3253"
                           yFract="0.74944313"
                           z3="4.21901"
                           zFract="0.18987444"/>
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
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                           x3="4.21681"
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                     <bond atomRefs2="a32 a66" order="S"/>
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                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
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                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
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                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a35 a56" order="S"/>
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                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a59" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a50" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a52" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
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                     <bond atomRefs2="a40 a64" order="S"/>
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                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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>
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                           id="a1"
                           x3="2.09786"
                           xFract="0.24856161"
                           y3="-0.00524"
                           yFract="-0.00062085"
                           z3="4.22596"
                           zFract="0.19018722"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.01269"
                           xFract="-0.00150355"
                           y3="-0.0073"
                           yFract="-0.00086493"
                           z3="6.32478"
                           zFract="0.28464356"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01118"
                           xFract="0.00132464"
                           y3="2.11117"
                           yFract="0.25013863"
                           z3="4.21637"
                           zFract="0.18975563"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.23387"
                           xFract="0.50164336"
                           y3="-0.00806"
                           yFract="-0.00095498"
                           z3="6.3382"
                           zFract="0.28524752"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23968"
                           xFract="0.50233175"
                           y3="6.3122"
                           yFract="0.747891"
                           z3="8.4114"
                           zFract="0.37855086"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.10675"
                           xFract="0.24961493"
                           y3="4.2239"
                           yFract="0.50046209"
                           z3="4.21173"
                           zFract="0.1895468"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.32986"
                           xFract="0.74998341"
                           y3="4.23241"
                           yFract="0.50147038"
                           z3="4.23665"
                           zFract="0.19066832"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.32685"
                           xFract="0.74962678"
                           y3="-0.03109"
                           yFract="-0.00368365"
                           z3="8.39351"
                           zFract="0.37774572"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.01625"
                           xFract="-0.00192536"
                           y3="2.12465"
                           yFract="0.25173578"
                           z3="8.40557"
                           zFract="0.37828848"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.33201"
                           xFract="0.75023815"
                           y3="2.12573"
                           yFract="0.25186374"
                           z3="6.31455"
                           zFract="0.28418317"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.23632"
                           xFract="0.50193365"
                           y3="2.1391"
                           yFract="0.25344787"
                           z3="8.39748"
                           zFract="0.37792439"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.12701"
                           xFract="0.2520154"
                           y3="4.24401"
                           yFract="0.50284479"
                           z3="8.39859"
                           zFract="0.37797435"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11312"
                           xFract="0.25036967"
                           y3="-0.02425"
                           yFract="-0.00287322"
                           z3="8.39401"
                           zFract="0.37776823"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.3412"
                           xFract="0.75132701"
                           y3="-0.01193"
                           yFract="-0.00141351"
                           z3="4.22703"
                           zFract="0.19023537"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31708"
                           xFract="0.74846919"
                           y3="4.2306"
                           yFract="0.50125592"
                           z3="8.50507"
                           zFract="0.38276643"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23202"
                           xFract="0.50142417"
                           y3="4.22542"
                           yFract="0.50064218"
                           z3="6.34512"
                           zFract="0.28555896"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33406"
                           xFract="0.75048104"
                           y3="6.32843"
                           yFract="0.74981398"
                           z3="6.3371"
                           zFract="0.28519802"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.0050"
                           xFract="-0.00059242"
                           y3="6.33225"
                           yFract="0.75026659"
                           z3="4.20652"
                           zFract="0.18931233"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.01939"
                           xFract="-0.00229739"
                           y3="4.23081"
                           yFract="0.50128081"
                           z3="6.33635"
                           zFract="0.28516427"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22763"
                           xFract="0.50090403"
                           y3="6.32241"
                           yFract="0.74910071"
                           z3="4.21852"
                           zFract="0.18985239"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21485"
                           xFract="0.49938981"
                           y3="2.11774"
                           yFract="0.25091706"
                           z3="4.2128"
                           zFract="0.18959496"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.10371"
                           xFract="0.24925474"
                           y3="2.11222"
                           yFract="0.25026303"
                           z3="6.32577"
                           zFract="0.28468812"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.01776"
                           xFract="-0.00210427"
                           y3="6.31992"
                           yFract="0.74880569"
                           z3="8.44016"
                           zFract="0.37984518"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10444"
                           xFract="0.24934123"
                           y3="6.32743"
                           yFract="0.7496955"
                           z3="6.33538"
                           zFract="0.28512061"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.03211"
                           xFract="-0.0038045"
                           y3="2.07194"
                           yFract="0.24549052"
                           z3="6.32236"
                           zFract="0.28453465"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.11527"
                           xFract="0.25062441"
                           y3="0.0047"
                           yFract="0.00055687"
                           z3="6.31973"
                           zFract="0.28441629"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.04229"
                           xFract="0.00501066"
                           y3="0.03591"
                           yFract="0.00425474"
                           z3="4.22903"
                           zFract="0.19032538"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00438"
                           xFract="0.00051896"
                           y3="0.02313"
                           yFract="0.00274052"
                           z3="8.4778"
                           zFract="0.38153915"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.08165"
                           xFract="0.246641"
                           y3="2.10676"
                           yFract="0.24961611"
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                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a48" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
                     <bond atomRefs2="a20 a75" order="S"/>
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                     <bond atomRefs2="a21 a56" order="S"/>
                     <bond atomRefs2="a21 a54" order="S"/>
                     <bond atomRefs2="a21 a59" order="S"/>
                     <bond atomRefs2="a21 a53" order="S"/>
                     <bond atomRefs2="a22 a80" order="S"/>
                     <bond atomRefs2="a22 a77" order="S"/>
                     <bond atomRefs2="a22 a60" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a72" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a52" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a41" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a68" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a66" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a41" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a61" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a30 a66" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a30 a69" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a35 a56" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a59" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a50" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a52" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a69" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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="Ni"
                           id="a1"
                           x3="2.09739"
                           xFract="0.24850592"
                           y3="-0.00797"
                           yFract="-0.00094431"
                           z3="4.23387"
                           zFract="0.1905432"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.01519"
                           xFract="-0.00179976"
                           y3="0.00014"
                           yFract="0.00001659"
                           z3="6.33853"
                           zFract="0.28526238"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01137"
                           xFract="0.00134716"
                           y3="2.12017"
                           yFract="0.25120498"
                           z3="4.21965"
                           zFract="0.18990324"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.23392"
                           xFract="0.50164929"
                           y3="-0.00139"
                           yFract="-0.00016469"
                           z3="6.36192"
                           zFract="0.28631503"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23901"
                           xFract="0.50225237"
                           y3="6.31154"
                           yFract="0.7478128"
                           z3="8.41467"
                           zFract="0.37869802"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.10162"
                           xFract="0.24900711"
                           y3="4.22858"
                           yFract="0.50101659"
                           z3="4.20751"
                           zFract="0.18935689"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.33245"
                           xFract="0.75029028"
                           y3="4.2288"
                           yFract="0.50104265"
                           z3="4.2151"
                           zFract="0.18969847"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.32628"
                           xFract="0.74955924"
                           y3="-0.03323"
                           yFract="-0.0039372"
                           z3="8.39258"
                           zFract="0.37770387"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.0153"
                           xFract="-0.0018128"
                           y3="2.12134"
                           yFract="0.2513436"
                           z3="8.40768"
                           zFract="0.37838344"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.33584"
                           xFract="0.75069194"
                           y3="2.12306"
                           yFract="0.25154739"
                           z3="6.32076"
                           zFract="0.28446265"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.23623"
                           xFract="0.50192299"
                           y3="2.13727"
                           yFract="0.25323104"
                           z3="8.40108"
                           zFract="0.37808641"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.12765"
                           xFract="0.25209123"
                           y3="4.24413"
                           yFract="0.502859"
                           z3="8.40238"
                           zFract="0.37814491"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11341"
                           xFract="0.25040403"
                           y3="-0.02139"
                           yFract="-0.00253436"
                           z3="8.39131"
                           zFract="0.37764671"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.34579"
                           xFract="0.75187085"
                           y3="-0.01434"
                           yFract="-0.00169905"
                           z3="4.23957"
                           zFract="0.19079973"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31345"
                           xFract="0.7480391"
                           y3="4.22653"
                           yFract="0.5007737"
                           z3="8.53996"
                           zFract="0.38433663"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.24438"
                           xFract="0.50288863"
                           y3="4.22877"
                           yFract="0.5010391"
                           z3="6.35573"
                           zFract="0.28603645"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33336"
                           xFract="0.7503981"
                           y3="6.32148"
                           yFract="0.74899052"
                           z3="6.34444"
                           zFract="0.28552835"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00573"
                           xFract="-0.00067891"
                           y3="6.33163"
                           yFract="0.75019313"
                           z3="4.19342"
                           zFract="0.18872277"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.02712"
                           xFract="-0.00321327"
                           y3="4.23406"
                           yFract="0.50166588"
                           z3="6.3474"
                           zFract="0.28566157"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.22739"
                           xFract="0.50087559"
                           y3="6.3220"
                           yFract="0.74905213"
                           z3="4.22136"
                           zFract="0.1899802"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21466"
                           xFract="0.4993673"
                           y3="2.11854"
                           yFract="0.25101185"
                           z3="4.21714"
                           zFract="0.18979028"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.09995"
                           xFract="0.24880924"
                           y3="2.10898"
                           yFract="0.24987915"
                           z3="6.3456"
                           zFract="0.28558056"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.0197"
                           xFract="-0.00233412"
                           y3="6.32085"
                           yFract="0.74891588"
                           z3="8.44933"
                           zFract="0.38025788"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10144"
                           xFract="0.24898578"
                           y3="6.33009"
                           yFract="0.75001066"
                           z3="6.3435"
                           zFract="0.28548605"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.03708"
                           xFract="-0.00439336"
                           y3="2.05846"
                           yFract="0.24389336"
                           z3="6.31356"
                           zFract="0.28413861"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.11302"
                           xFract="0.25035782"
                           y3="0.00786"
                           yFract="0.00093128"
                           z3="6.30927"
                           zFract="0.28394554"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.06192"
                           xFract="0.00733649"
                           y3="0.05299"
                           yFract="0.00627844"
                           z3="4.2223"
                           zFract="0.1900225"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00136"
                           xFract="0.00016114"
                           y3="0.01217"
                           yFract="0.00144194"
                           z3="8.48227"
                           zFract="0.38174032"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.07246"
                           xFract="0.24555213"
                           y3="2.10662"
                           yFract="0.24959953"
                           z3="4.23062"
                           zFract="0.19039694"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11565"
                           xFract="0.25066943"
                           y3="2.11022"
                           yFract="0.25002607"
                           z3="8.52286"
                           zFract="0.38356706"/>
                     <atom elementType="O"
                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
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                           x3="4.25942"
                           xFract="0.50467062"
                           y3="2.04135"
                           yFract="0.24186611"
                           z3="6.34648"
                           zFract="0.28562016"/>
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                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
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                           x3="6.32593"
                           xFract="0.74951777"
                           y3="0.03135"
                           yFract="0.00371445"
                           z3="6.3485"
                           zFract="0.28571107"/>
                     <atom elementType="O"
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                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
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                           xFract="0.4931564"
                           y3="0.00684"
                           yFract="0.00081043"
                           z3="4.3216"
                           zFract="0.19449145"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.21911"
                           xFract="0.49989455"
                           y3="0.00376"
                           yFract="0.0004455"
                           z3="8.42607"
                           zFract="0.37921107"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.36588"
                           xFract="0.75425118"
                           y3="2.16352"
                           yFract="0.25634123"
                           z3="4.25273"
                           zFract="0.19139199"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32635"
                           xFract="0.74956754"
                           y3="2.09029"
                           yFract="0.24766469"
                           z3="8.45191"
                           zFract="0.38037399"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.02236"
                           xFract="0.00264929"
                           y3="6.38234"
                           yFract="0.75620142"
                           z3="6.2736"
                           zFract="0.28234023"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
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                  <formula concise="Cu10Mg10Ni10O40Zn10">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           yFract="0.0000"
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                           y3="0.0000"
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                           y3="2.11962"
                           yFract="0.25113981"
                           z3="6.32758"
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                           xFract="0.50180806"
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                           yFract="0.25283531"
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                           y3="4.24294"
                           yFract="0.50271801"
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                           z3="0.0000"
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                           y3="-0.01602"
                           yFract="-0.0018981"
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                           zFract="0.38568902"/>
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                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a56" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a59" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a50" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a52" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a69" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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="Ni"
                           id="a1"
                           x3="2.10014"
                           xFract="0.24883175"
                           y3="-0.00466"
                           yFract="-0.00055213"
                           z3="4.23994"
                           zFract="0.19081638"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.01338"
                           xFract="-0.00158531"
                           y3="0.00412"
                           yFract="0.00048815"
                           z3="6.34627"
                           zFract="0.28561071"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01542"
                           xFract="0.00182701"
                           y3="2.12663"
                           yFract="0.25197038"
                           z3="4.22092"
                           zFract="0.1899604"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.2278"
                           xFract="0.50092417"
                           y3="0.00634"
                           yFract="0.00075118"
                           z3="6.37255"
                           zFract="0.28679343"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23537"
                           xFract="0.50182109"
                           y3="6.30737"
                           yFract="0.74731872"
                           z3="8.43212"
                           zFract="0.37948335"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.09456"
                           xFract="0.24817062"
                           y3="4.23313"
                           yFract="0.50155569"
                           z3="4.20087"
                           zFract="0.18905806"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.33495"
                           xFract="0.75058649"
                           y3="4.22007"
                           yFract="0.50000829"
                           z3="4.17262"
                           zFract="0.18778668"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.32823"
                           xFract="0.74979028"
                           y3="-0.03908"
                           yFract="-0.00463033"
                           z3="8.39443"
                           zFract="0.37778713"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.01451"
                           xFract="-0.00171919"
                           y3="2.11692"
                           yFract="0.25081991"
                           z3="8.41853"
                           zFract="0.37887174"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.33797"
                           xFract="0.75094431"
                           y3="2.12468"
                           yFract="0.25173934"
                           z3="6.32295"
                           zFract="0.28456121"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.23744"
                           xFract="0.50206635"
                           y3="2.1360"
                           yFract="0.25308057"
                           z3="8.40861"
                           zFract="0.37842529"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.12728"
                           xFract="0.25204739"
                           y3="4.24612"
                           yFract="0.50309479"
                           z3="8.41445"
                           zFract="0.37868812"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.11084"
                           xFract="0.25009953"
                           y3="-0.02143"
                           yFract="-0.0025391"
                           z3="8.39408"
                           zFract="0.37777138"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.35346"
                           xFract="0.75277962"
                           y3="-0.01835"
                           yFract="-0.00217417"
                           z3="4.25458"
                           zFract="0.19147525"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31115"
                           xFract="0.74776659"
                           y3="4.21893"
                           yFract="0.49987322"
                           z3="8.59527"
                           zFract="0.38682583"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.26601"
                           xFract="0.50545142"
                           y3="4.23707"
                           yFract="0.50202251"
                           z3="6.36781"
                           zFract="0.28658011"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.33027"
                           xFract="0.75003199"
                           y3="6.30034"
                           yFract="0.74648578"
                           z3="6.35642"
                           zFract="0.28606751"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00628"
                           xFract="-0.00074408"
                           y3="6.33332"
                           yFract="0.75039336"
                           z3="4.17006"
                           zFract="0.18767147"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.03968"
                           xFract="-0.00470142"
                           y3="4.24533"
                           yFract="0.50300118"
                           z3="6.36252"
                           zFract="0.28634203"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2288"
                           xFract="0.50104265"
                           y3="6.32295"
                           yFract="0.74916469"
                           z3="4.23167"
                           zFract="0.19044419"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.21118"
                           xFract="0.49895498"
                           y3="2.11873"
                           yFract="0.25103436"
                           z3="4.22582"
                           zFract="0.19018092"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.09806"
                           xFract="0.24858531"
                           y3="2.1110"
                           yFract="0.25011848"
                           z3="6.36643"
                           zFract="0.286518"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.02082"
                           xFract="-0.00246682"
                           y3="6.32141"
                           yFract="0.74898223"
                           z3="8.46531"
                           zFract="0.38097705"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.09806"
                           xFract="0.24858531"
                           y3="6.33003"
                           yFract="0.75000355"
                           z3="6.35157"
                           zFract="0.28584923"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.03638"
                           xFract="-0.00431043"
                           y3="2.05067"
                           yFract="0.24297038"
                           z3="6.32139"
                           zFract="0.284491"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.09959"
                           xFract="0.24876659"
                           y3="0.01572"
                           yFract="0.00186256"
                           z3="6.31825"
                           zFract="0.28434968"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.08768"
                           xFract="0.01038863"
                           y3="0.07886"
                           yFract="0.0093436"
                           z3="4.21075"
                           zFract="0.1895027"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00466"
                           xFract="-0.00055213"
                           y3="-0.00332"
                           yFract="-0.00039336"
                           z3="8.48988"
                           zFract="0.38208281"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.06373"
                           xFract="0.24451777"
                           y3="2.10626"
                           yFract="0.24955687"
                           z3="4.23572"
                           zFract="0.19062646"/>
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                           id="a50"
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                           xFract="0.25100355"
                           y3="2.11271"
                           yFract="0.25032109"
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                           zFract="0.38367237"/>
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                           xFract="0.5000"
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                           zFract="0.09495005"/>
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                           zFract="0.28582088"/>
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                           xFract="0.7500"
                           y3="0.0000"
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                     <bond atomRefs2="a33 a76" order="S"/>
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                     <bond atomRefs2="a33 a69" order="S"/>
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                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a35 a56" order="S"/>
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                     <bond atomRefs2="a35 a59" order="S"/>
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                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a59" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
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                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a50" order="S"/>
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                     <bond atomRefs2="a38 a64" order="S"/>
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                     <bond atomRefs2="a39 a62" order="S"/>
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                     <bond atomRefs2="a40 a64" order="S"/>
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                     <bond atomRefs2="a40 a72" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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>
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                           x3="2.10234"
                           xFract="0.24909242"
                           y3="0.00027"
                           yFract="0.00003199"
                           z3="4.23887"
                           zFract="0.19076823"/>
                     <atom elementType="Ni"
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                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.01031"
                           xFract="-0.00122156"
                           y3="0.00098"
                           yFract="0.00011611"
                           z3="6.34123"
                           zFract="0.28538389"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.01931"
                           xFract="0.00228791"
                           y3="2.12475"
                           yFract="0.25174763"
                           z3="4.21911"
                           zFract="0.18987894"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.22309"
                           xFract="0.50036611"
                           y3="0.00709"
                           yFract="0.00084005"
                           z3="6.36229"
                           zFract="0.28633168"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.2337"
                           xFract="0.50162322"
                           y3="6.30344"
                           yFract="0.74685308"
                           z3="8.44323"
                           zFract="0.37998335"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.09256"
                           xFract="0.24793365"
                           y3="4.23334"
                           yFract="0.50158057"
                           z3="4.19824"
                           zFract="0.18893969"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.33494"
                           xFract="0.75058531"
                           y3="4.21608"
                           yFract="0.49953555"
                           z3="4.1545"
                           zFract="0.1869712"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.33027"
                           xFract="0.75003199"
                           y3="-0.04388"
                           yFract="-0.00519905"
                           z3="8.39464"
                           zFract="0.37779658"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.0154"
                           xFract="-0.00182464"
                           y3="2.11655"
                           yFract="0.25077607"
                           z3="8.4246"
                           zFract="0.37914491"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.3367"
                           xFract="0.75079384"
                           y3="2.1291"
                           yFract="0.25226303"
                           z3="6.31892"
                           zFract="0.28437984"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.23935"
                           xFract="0.50229265"
                           y3="2.13781"
                           yFract="0.25329502"
                           z3="8.41014"
                           zFract="0.37849415"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.12723"
                           xFract="0.25204147"
                           y3="4.2489"
                           yFract="0.50342417"
                           z3="8.41984"
                           zFract="0.37893069"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.1085"
                           xFract="0.24982227"
                           y3="-0.02502"
                           yFract="-0.00296445"
                           z3="8.3966"
                           zFract="0.37788479"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.35683"
                           xFract="0.75317891"
                           y3="-0.02037"
                           yFract="-0.00241351"
                           z3="4.25747"
                           zFract="0.19160531"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3116"
                           xFract="0.74781991"
                           y3="4.21623"
                           yFract="0.49955332"
                           z3="8.6173"
                           zFract="0.38781728"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.27505"
                           xFract="0.50652251"
                           y3="4.24175"
                           yFract="0.50257701"
                           z3="6.37016"
                           zFract="0.28668587"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32835"
                           xFract="0.7498045"
                           y3="6.28767"
                           yFract="0.7449846"
                           z3="6.36106"
                           zFract="0.28627633"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00639"
                           xFract="-0.00075711"
                           y3="6.33543"
                           yFract="0.75064336"
                           z3="4.16008"
                           zFract="0.18722232"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.04504"
                           xFract="-0.00533649"
                           y3="4.25293"
                           yFract="0.50390166"
                           z3="6.36673"
                           zFract="0.2865315"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2306"
                           xFract="0.50125592"
                           y3="6.32376"
                           yFract="0.74926066"
                           z3="4.2382"
                           zFract="0.19073807"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.20807"
                           xFract="0.49858649"
                           y3="2.11859"
                           yFract="0.25101777"
                           z3="4.22941"
                           zFract="0.19034248"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.09927"
                           xFract="0.24872867"
                           y3="2.11559"
                           yFract="0.25066232"
                           z3="6.36774"
                           zFract="0.28657696"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.02102"
                           xFract="-0.00249052"
                           y3="6.32064"
                           yFract="0.748891"
                           z3="8.47158"
                           zFract="0.38125923"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.09738"
                           xFract="0.24850474"
                           y3="6.32763"
                           yFract="0.74971919"
                           z3="6.35206"
                           zFract="0.28587129"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.03313"
                           xFract="-0.00392536"
                           y3="2.05338"
                           yFract="0.24329147"
                           z3="6.33527"
                           zFract="0.28511566"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
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                     <bond atomRefs2="a19 a20" order="S"/>
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                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a41" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a68" order="S"/>
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                     <bond atomRefs2="a26 a69" order="S"/>
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                     <bond atomRefs2="a27 a66" order="S"/>
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                     <bond atomRefs2="a27 a65" order="S"/>
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                     <bond atomRefs2="a28 a79" order="S"/>
                     <bond atomRefs2="a28 a80" order="S"/>
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                     <bond atomRefs2="a28 a72" order="S"/>
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                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a35 a56" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a59" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a50" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a52" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a69" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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="Ni"
                           id="a1"
                           x3="2.09924"
                           xFract="0.24872512"
                           y3="0.00669"
                           yFract="0.00079265"
                           z3="4.24619"
                           zFract="0.19109766"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.0060"
                           xFract="-0.0007109"
                           y3="0.0042"
                           yFract="0.00049763"
                           z3="6.3335"
                           zFract="0.285036"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.02361"
                           xFract="0.00279739"
                           y3="2.1184"
                           yFract="0.25099526"
                           z3="4.2257"
                           zFract="0.19017552"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.21766"
                           xFract="0.49972275"
                           y3="0.01543"
                           yFract="0.0018282"
                           z3="6.38615"
                           zFract="0.28740549"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23633"
                           xFract="0.50193483"
                           y3="6.30349"
                           yFract="0.746859"
                           z3="8.45089"
                           zFract="0.38032808"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.09104"
                           xFract="0.24775355"
                           y3="4.23283"
                           yFract="0.50152014"
                           z3="4.20023"
                           zFract="0.18902925"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.33676"
                           xFract="0.75080095"
                           y3="4.21654"
                           yFract="0.49959005"
                           z3="4.16419"
                           zFract="0.18740729"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3325"
                           xFract="0.75029621"
                           y3="-0.04934"
                           yFract="-0.00584597"
                           z3="8.38577"
                           zFract="0.37739739"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.01451"
                           xFract="-0.00171919"
                           y3="2.11476"
                           yFract="0.25056398"
                           z3="8.42887"
                           zFract="0.37933708"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.33994"
                           xFract="0.75117773"
                           y3="2.13308"
                           yFract="0.2527346"
                           z3="6.31198"
                           zFract="0.28406751"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2397"
                           xFract="0.50233412"
                           y3="2.13531"
                           yFract="0.25299882"
                           z3="8.41109"
                           zFract="0.3785369"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.12518"
                           xFract="0.25179858"
                           y3="4.24676"
                           yFract="0.50317062"
                           z3="8.42134"
                           zFract="0.3789982"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.10602"
                           xFract="0.24952844"
                           y3="-0.02497"
                           yFract="-0.00295853"
                           z3="8.40462"
                           zFract="0.37824572"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.36248"
                           xFract="0.75384834"
                           y3="-0.02662"
                           yFract="-0.00315403"
                           z3="4.25194"
                           zFract="0.19135644"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.31636"
                           xFract="0.74838389"
                           y3="4.21353"
                           yFract="0.49923341"
                           z3="8.63629"
                           zFract="0.38867192"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.27556"
                           xFract="0.50658294"
                           y3="4.24818"
                           yFract="0.50333886"
                           z3="6.37171"
                           zFract="0.28675563"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32455"
                           xFract="0.74935427"
                           y3="6.27448"
                           yFract="0.7434218"
                           z3="6.36827"
                           zFract="0.28660081"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00683"
                           xFract="-0.00080924"
                           y3="6.34045"
                           yFract="0.75123815"
                           z3="4.15734"
                           zFract="0.18709901"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.04552"
                           xFract="-0.00539336"
                           y3="4.25999"
                           yFract="0.50473815"
                           z3="6.36441"
                           zFract="0.28642709"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.23575"
                           xFract="0.50186611"
                           y3="6.32013"
                           yFract="0.74883057"
                           z3="4.24811"
                           zFract="0.19118407"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.20352"
                           xFract="0.49804739"
                           y3="2.12093"
                           yFract="0.25129502"
                           z3="4.23603"
                           zFract="0.19064041"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.09946"
                           xFract="0.24875118"
                           y3="2.12572"
                           yFract="0.25186256"
                           z3="6.36605"
                           zFract="0.2865009"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.0213"
                           xFract="-0.0025237"
                           y3="6.32316"
                           yFract="0.74918957"
                           z3="8.47854"
                           zFract="0.38157246"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.09895"
                           xFract="0.24869076"
                           y3="6.32275"
                           yFract="0.749141"
                           z3="6.34623"
                           zFract="0.28560891"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.03567"
                           xFract="-0.0042263"
                           y3="2.06275"
                           yFract="0.24440166"
                           z3="6.35039"
                           zFract="0.28579613"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.06728"
                           xFract="0.24493839"
                           y3="0.01864"
                           yFract="0.00220853"
                           z3="6.34827"
                           zFract="0.28570072"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.09966"
                           xFract="0.01180806"
                           y3="0.09346"
                           yFract="0.01107346"
                           z3="4.20266"
                           zFract="0.18913861"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01122"
                           xFract="-0.00132938"
                           y3="-0.00601"
                           yFract="-0.00071209"
                           z3="8.50257"
                           zFract="0.38265392"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.06936"
                           xFract="0.24518483"
                           y3="2.1030"
                           yFract="0.24917062"
                           z3="4.24402"
                           zFract="0.1910"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11589"
                           xFract="0.25069787"
                           y3="2.11143"
                           yFract="0.25016943"
                           z3="8.53423"
                           zFract="0.38407876"/>
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                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
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                           x3="4.2588"
                           xFract="0.50459716"
                           y3="1.97745"
                           yFract="0.23429502"
                           z3="6.36687"
                           zFract="0.2865378"/>
                     <atom elementType="O"
                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
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                           x3="6.35944"
                           xFract="0.75348815"
                           y3="0.01474"
                           yFract="0.00174645"
                           z3="6.31614"
                           zFract="0.28425473"/>
                     <atom elementType="O"
                           id="a55"
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                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
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                           xFract="0.48768128"
                           y3="0.02815"
                           yFract="0.00333531"
                           z3="4.39303"
                           zFract="0.19770612"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.23106"
                           xFract="0.50131043"
                           y3="0.0053"
                           yFract="0.00062796"
                           z3="8.39062"
                           zFract="0.37761566"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.3748"
                           xFract="0.75530806"
                           y3="2.20403"
                           yFract="0.261141"
                           z3="4.22397"
                           zFract="0.19009766"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.33049"
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                  <formula concise="Cu10Mg10Ni10O40Zn10">
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               <molecule id="calculation.position.14">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           yFract="0.0000"
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                           xFract="0.50238744"
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                           yFract="0.25307109"
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                           y3="4.24479"
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                           zFract="0.0000"/>
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                           y3="4.25024"
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                     <bond atomRefs2="a35 a56" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a59" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a50" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a52" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a69" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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="Ni"
                           id="a1"
                           x3="2.10322"
                           xFract="0.24919668"
                           y3="0.00251"
                           yFract="0.00029739"
                           z3="4.25439"
                           zFract="0.1914667"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.00977"
                           xFract="-0.00115758"
                           y3="0.00592"
                           yFract="0.00070142"
                           z3="6.33962"
                           zFract="0.28531143"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.02032"
                           xFract="0.00240758"
                           y3="2.12612"
                           yFract="0.25190995"
                           z3="4.23121"
                           zFract="0.19042349"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.21706"
                           xFract="0.49965166"
                           y3="0.0188"
                           yFract="0.00222749"
                           z3="6.38271"
                           zFract="0.28725068"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23815"
                           xFract="0.50215047"
                           y3="6.30196"
                           yFract="0.74667773"
                           z3="8.44831"
                           zFract="0.38021197"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.08961"
                           xFract="0.24758412"
                           y3="4.2366"
                           yFract="0.50196682"
                           z3="4.20475"
                           zFract="0.18923267"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.34024"
                           xFract="0.75121327"
                           y3="4.21181"
                           yFract="0.49902962"
                           z3="4.15902"
                           zFract="0.18717462"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.33957"
                           xFract="0.75113389"
                           y3="-0.04813"
                           yFract="-0.00570261"
                           z3="8.37673"
                           zFract="0.37699055"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.01537"
                           xFract="-0.00182109"
                           y3="2.11173"
                           yFract="0.25020498"
                           z3="8.43367"
                           zFract="0.37955311"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34295"
                           xFract="0.75153436"
                           y3="2.12423"
                           yFract="0.25168602"
                           z3="6.31431"
                           zFract="0.28417237"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.24043"
                           xFract="0.50242062"
                           y3="2.1363"
                           yFract="0.25311611"
                           z3="8.41416"
                           zFract="0.37867507"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.12226"
                           xFract="0.25145261"
                           y3="4.24356"
                           yFract="0.50279147"
                           z3="8.42614"
                           zFract="0.37921422"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.0985"
                           xFract="0.24863744"
                           y3="-0.02377"
                           yFract="-0.00281635"
                           z3="8.41495"
                           zFract="0.37871062"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.35954"
                           xFract="0.7535"
                           y3="-0.03338"
                           yFract="-0.00395498"
                           z3="4.24428"
                           zFract="0.1910117"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3207"
                           xFract="0.7488981"
                           y3="4.21005"
                           yFract="0.49882109"
                           z3="8.64065"
                           zFract="0.38886814"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.26628"
                           xFract="0.50548341"
                           y3="4.25152"
                           yFract="0.5037346"
                           z3="6.37718"
                           zFract="0.2870018"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.31985"
                           xFract="0.74879739"
                           y3="6.27277"
                           yFract="0.74321919"
                           z3="6.37636"
                           zFract="0.2869649"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00657"
                           xFract="-0.00077844"
                           y3="6.34352"
                           yFract="0.7516019"
                           z3="4.16208"
                           zFract="0.18731233"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.03979"
                           xFract="-0.00471445"
                           y3="4.26169"
                           yFract="0.50493957"
                           z3="6.3632"
                           zFract="0.28637264"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.23576"
                           xFract="0.5018673"
                           y3="6.32254"
                           yFract="0.74911611"
                           z3="4.25512"
                           zFract="0.19149955"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.20598"
                           xFract="0.49833886"
                           y3="2.11867"
                           yFract="0.25102725"
                           z3="4.23876"
                           zFract="0.19076328"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.09871"
                           xFract="0.24866232"
                           y3="2.13124"
                           yFract="0.25251659"
                           z3="6.37108"
                           zFract="0.28672727"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.01869"
                           xFract="-0.00221445"
                           y3="6.3282"
                           yFract="0.74978673"
                           z3="8.48244"
                           zFract="0.38174797"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10101"
                           xFract="0.24893483"
                           y3="6.32586"
                           yFract="0.74950948"
                           z3="6.34551"
                           zFract="0.28557651"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.03767"
                           xFract="-0.00446327"
                           y3="2.07126"
                           yFract="0.24540995"
                           z3="6.34749"
                           zFract="0.28566562"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.04548"
                           xFract="0.24235545"
                           y3="0.02206"
                           yFract="0.00261374"
                           z3="6.34756"
                           zFract="0.28566877"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.09662"
                           xFract="0.01144787"
                           y3="0.08693"
                           yFract="0.01029976"
                           z3="4.20476"
                           zFract="0.18923312"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.01126"
                           xFract="-0.00133412"
                           y3="-0.00566"
                           yFract="-0.00067062"
                           z3="8.50413"
                           zFract="0.38272412"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.07572"
                           xFract="0.24593839"
                           y3="2.10168"
                           yFract="0.24901422"
                           z3="4.25303"
                           zFract="0.19140549"/>
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                           id="a50"
                           x3="2.11727"
                           xFract="0.25086137"
                           y3="2.11211"
                           yFract="0.25025"
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                           zFract="0.38463771"/>
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                           xFract="0.5000"
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                           yFract="0.2500"
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                           zFract="0.09495005"/>
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                           xFract="0.50508412"
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                           yFract="0.23330687"
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                           zFract="0.28660621"/>
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                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
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                           zFract="0.09495005"/>
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                           zFract="0.28381908"/>
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                           y3="0.0000"
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                           yFract="0.73540995"
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                     <bond atomRefs2="a33 a76" order="S"/>
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                     <bond atomRefs2="a33 a72" order="S"/>
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                     <bond atomRefs2="a33 a69" order="S"/>
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                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a59" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
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                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a50" order="S"/>
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                     <bond atomRefs2="a38 a64" order="S"/>
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                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
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                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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>
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                           id="a1"
                           x3="2.10271"
                           xFract="0.24913626"
                           y3="0.00305"
                           yFract="0.00036137"
                           z3="4.25334"
                           zFract="0.19141944"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.00929"
                           xFract="-0.00110071"
                           y3="0.0057"
                           yFract="0.00067536"
                           z3="6.33884"
                           zFract="0.28527633"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.02074"
                           xFract="0.00245735"
                           y3="2.12513"
                           yFract="0.25179265"
                           z3="4.2305"
                           zFract="0.19039154"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.21713"
                           xFract="0.49965995"
                           y3="0.01836"
                           yFract="0.00217536"
                           z3="6.38315"
                           zFract="0.28727048"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23792"
                           xFract="0.50212322"
                           y3="6.30216"
                           yFract="0.74670142"
                           z3="8.44864"
                           zFract="0.38022682"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.0898"
                           xFract="0.24760664"
                           y3="4.23612"
                           yFract="0.50190995"
                           z3="4.20417"
                           zFract="0.18920657"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.33979"
                           xFract="0.75115995"
                           y3="4.21242"
                           yFract="0.4991019"
                           z3="4.15968"
                           zFract="0.18720432"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.33866"
                           xFract="0.75102607"
                           y3="-0.04829"
                           yFract="-0.00572156"
                           z3="8.37789"
                           zFract="0.37704275"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.01526"
                           xFract="-0.00180806"
                           y3="2.11212"
                           yFract="0.25025118"
                           z3="8.43305"
                           zFract="0.3795252"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34256"
                           xFract="0.75148815"
                           y3="2.12537"
                           yFract="0.25182109"
                           z3="6.31401"
                           zFract="0.28415887"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.24034"
                           xFract="0.50240995"
                           y3="2.13618"
                           yFract="0.2531019"
                           z3="8.41377"
                           zFract="0.37865752"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.12263"
                           xFract="0.25149645"
                           y3="4.24397"
                           yFract="0.50284005"
                           z3="8.42553"
                           zFract="0.37918677"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.09947"
                           xFract="0.24875237"
                           y3="-0.02393"
                           yFract="-0.00283531"
                           z3="8.41362"
                           zFract="0.37865077"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.35991"
                           xFract="0.75354384"
                           y3="-0.03251"
                           yFract="-0.0038519"
                           z3="4.24527"
                           zFract="0.19105626"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32014"
                           xFract="0.74883175"
                           y3="4.2105"
                           yFract="0.49887441"
                           z3="8.64009"
                           zFract="0.38884293"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.26748"
                           xFract="0.50562559"
                           y3="4.25109"
                           yFract="0.50368365"
                           z3="6.37647"
                           zFract="0.28696985"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32045"
                           xFract="0.74886848"
                           y3="6.27299"
                           yFract="0.74324526"
                           z3="6.37532"
                           zFract="0.28691809"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.0066"
                           xFract="-0.00078199"
                           y3="6.34313"
                           yFract="0.75155569"
                           z3="4.16147"
                           zFract="0.18728488"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.04052"
                           xFract="-0.00480095"
                           y3="4.26147"
                           yFract="0.50491351"
                           z3="6.36336"
                           zFract="0.28637984"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.23576"
                           xFract="0.5018673"
                           y3="6.32223"
                           yFract="0.74907938"
                           z3="4.25422"
                           zFract="0.19145905"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.20566"
                           xFract="0.49830095"
                           y3="2.11896"
                           yFract="0.25106161"
                           z3="4.23841"
                           zFract="0.19074752"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.09881"
                           xFract="0.24867417"
                           y3="2.13053"
                           yFract="0.25243246"
                           z3="6.37043"
                           zFract="0.28669802"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.01902"
                           xFract="-0.00225355"
                           y3="6.32755"
                           yFract="0.74970972"
                           z3="8.48194"
                           zFract="0.38172547"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.10075"
                           xFract="0.24890403"
                           y3="6.32546"
                           yFract="0.74946209"
                           z3="6.3456"
                           zFract="0.28558056"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.03741"
                           xFract="-0.00443246"
                           y3="2.07016"
                           yFract="0.24527962"
                           z3="6.34786"
                           zFract="0.28568227"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.04828"
                           xFract="0.2426872"
                           y3="0.02162"
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                     <bond atomRefs2="a17 a40" order="S"/>
                     <bond atomRefs2="a17 a70" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a17 a67" order="S"/>
                     <bond atomRefs2="a17 a50" order="S"/>
                     <bond atomRefs2="a17 a38" order="S"/>
                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a18 a44" order="S"/>
                     <bond atomRefs2="a18 a50" order="S"/>
                     <bond atomRefs2="a18 a47" order="S"/>
                     <bond atomRefs2="a18 a57" order="S"/>
                     <bond atomRefs2="a19 a51" order="S"/>
                     <bond atomRefs2="a19 a55" order="S"/>
                     <bond atomRefs2="a19 a58" order="S"/>
                     <bond atomRefs2="a19 a20" order="S"/>
                     <bond atomRefs2="a19 a75" order="S"/>
                     <bond atomRefs2="a19 a48" order="S"/>
                     <bond atomRefs2="a20 a78" order="S"/>
                     <bond atomRefs2="a20 a73" order="S"/>
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                     <bond atomRefs2="a21 a54" order="S"/>
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                     <bond atomRefs2="a22 a80" order="S"/>
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                     <bond atomRefs2="a22 a60" order="S"/>
                     <bond atomRefs2="a23 a76" order="S"/>
                     <bond atomRefs2="a23 a74" order="S"/>
                     <bond atomRefs2="a23 a77" order="S"/>
                     <bond atomRefs2="a23 a64" order="S"/>
                     <bond atomRefs2="a24 a79" order="S"/>
                     <bond atomRefs2="a24 a78" order="S"/>
                     <bond atomRefs2="a24 a73" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a48" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a41" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a63" order="S"/>
                     <bond atomRefs2="a25 a51" order="S"/>
                     <bond atomRefs2="a26 a61" order="S"/>
                     <bond atomRefs2="a26 a68" order="S"/>
                     <bond atomRefs2="a26 a63" order="S"/>
                     <bond atomRefs2="a26 a69" order="S"/>
                     <bond atomRefs2="a26 a71" order="S"/>
                     <bond atomRefs2="a27 a66" order="S"/>
                     <bond atomRefs2="a27 a61" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a65" order="S"/>
                     <bond atomRefs2="a27 a41" order="S"/>
                     <bond atomRefs2="a28 a74" order="S"/>
                     <bond atomRefs2="a28 a72" order="S"/>
                     <bond atomRefs2="a29 a61" order="S"/>
                     <bond atomRefs2="a29 a68" order="S"/>
                     <bond atomRefs2="a29 a65" order="S"/>
                     <bond atomRefs2="a30 a61" order="S"/>
                     <bond atomRefs2="a30 a62" order="S"/>
                     <bond atomRefs2="a31 a53" order="S"/>
                     <bond atomRefs2="a31 a58" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a66" order="S"/>
                     <bond atomRefs2="a32 a67" order="S"/>
                     <bond atomRefs2="a32 a62" order="S"/>
                     <bond atomRefs2="a32 a64" order="S"/>
                     <bond atomRefs2="a32 a42" order="S"/>
                     <bond atomRefs2="a33 a76" order="S"/>
                     <bond atomRefs2="a33 a79" order="S"/>
                     <bond atomRefs2="a33 a72" order="S"/>
                     <bond atomRefs2="a33 a71" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a68" order="S"/>
                     <bond atomRefs2="a34 a63" order="S"/>
                     <bond atomRefs2="a34 a65" order="S"/>
                     <bond atomRefs2="a34 a48" order="S"/>
                     <bond atomRefs2="a34 a75" order="S"/>
                     <bond atomRefs2="a35 a56" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a52" order="S"/>
                     <bond atomRefs2="a35 a51" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
                     <bond atomRefs2="a36 a43" order="S"/>
                     <bond atomRefs2="a37 a59" order="S"/>
                     <bond atomRefs2="a37 a53" order="S"/>
                     <bond atomRefs2="a37 a58" order="S"/>
                     <bond atomRefs2="a37 a51" order="S"/>
                     <bond atomRefs2="a37 a73" order="S"/>
                     <bond atomRefs2="a38 a44" order="S"/>
                     <bond atomRefs2="a38 a50" order="S"/>
                     <bond atomRefs2="a38 a49" order="S"/>
                     <bond atomRefs2="a38 a42" order="S"/>
                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a52" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a69" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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="Ni"
                           id="a1"
                           x3="2.09886"
                           xFract="0.24868009"
                           y3="0.00221"
                           yFract="0.00026185"
                           z3="4.25525"
                           zFract="0.1915054"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="-0.01007"
                           xFract="-0.00119313"
                           y3="0.00472"
                           yFract="0.00055924"
                           z3="6.33987"
                           zFract="0.28532268"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="0.02264"
                           xFract="0.00268246"
                           y3="2.12338"
                           yFract="0.25158531"
                           z3="4.2305"
                           zFract="0.19039154"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.21634"
                           xFract="0.49956635"
                           y3="0.02164"
                           yFract="0.00256398"
                           z3="6.38797"
                           zFract="0.2874874"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="4.23864"
                           xFract="0.50220853"
                           y3="6.30421"
                           yFract="0.74694431"
                           z3="8.44997"
                           zFract="0.38028668"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.09138"
                           xFract="0.24779384"
                           y3="4.23784"
                           yFract="0.50211374"
                           z3="4.2038"
                           zFract="0.18918992"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="6.33803"
                           xFract="0.75095142"
                           y3="4.20843"
                           yFract="0.49862915"
                           z3="4.16556"
                           zFract="0.18746895"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3350"
                           xFract="0.75059242"
                           y3="-0.04859"
                           yFract="-0.00575711"
                           z3="8.37727"
                           zFract="0.37701485"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="-0.0191"
                           xFract="-0.00226303"
                           y3="2.11546"
                           yFract="0.25064692"
                           z3="8.43661"
                           zFract="0.37968542"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="6.34005"
                           xFract="0.75119076"
                           y3="2.12217"
                           yFract="0.25144194"
                           z3="6.31967"
                           zFract="0.28441359"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.24247"
                           xFract="0.50266232"
                           y3="2.13537"
                           yFract="0.25300592"
                           z3="8.41821"
                           zFract="0.37885734"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="2.12211"
                           xFract="0.25143483"
                           y3="4.24619"
                           yFract="0.50310308"
                           z3="8.43637"
                           zFract="0.37967462"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="2.10117"
                           xFract="0.24895379"
                           y3="-0.02526"
                           yFract="-0.00299289"
                           z3="8.41902"
                           zFract="0.37889379"/>
                     <atom elementType="Mg"
                           id="a19"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a20"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="6.35697"
                           xFract="0.7531955"
                           y3="-0.03804"
                           yFract="-0.00450711"
                           z3="4.23844"
                           zFract="0.19074887"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.32305"
                           xFract="0.74917654"
                           y3="4.20946"
                           yFract="0.49875118"
                           z3="8.63701"
                           zFract="0.38870432"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.26476"
                           xFract="0.50530332"
                           y3="4.25024"
                           yFract="0.50358294"
                           z3="6.37788"
                           zFract="0.2870333"/>
                     <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="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.31562"
                           xFract="0.74829621"
                           y3="6.26802"
                           yFract="0.7426564"
                           z3="6.38032"
                           zFract="0.28714311"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="-0.00749"
                           xFract="-0.00088744"
                           y3="6.34639"
                           yFract="0.75194194"
                           z3="4.1646"
                           zFract="0.18742574"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="-0.04441"
                           xFract="-0.00526185"
                           y3="4.2626"
                           yFract="0.50504739"
                           z3="6.3668"
                           zFract="0.28653465"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="4.2397"
                           xFract="0.50233412"
                           y3="6.32157"
                           yFract="0.74900118"
                           z3="4.25646"
                           zFract="0.19155986"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="4.20975"
                           xFract="0.49878555"
                           y3="2.12337"
                           yFract="0.25158412"
                           z3="4.23855"
                           zFract="0.19075383"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="2.10037"
                           xFract="0.248859"
                           y3="2.13062"
                           yFract="0.25244313"
                           z3="6.37633"
                           zFract="0.28696355"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.01879"
                           xFract="-0.0022263"
                           y3="6.32618"
                           yFract="0.74954739"
                           z3="8.48375"
                           zFract="0.38180693"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="2.09874"
                           xFract="0.24866588"
                           y3="6.3346"
                           yFract="0.75054502"
                           z3="6.35275"
                           zFract="0.28590234"/>
                     <atom elementType="O"
                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a42"
                           x3="-0.0341"
                           xFract="-0.00404028"
                           y3="2.07429"
                           yFract="0.24576896"
                           z3="6.34845"
                           zFract="0.28570882"/>
                     <atom elementType="O"
                           id="a43"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.03454"
                           xFract="0.24105924"
                           y3="0.02753"
                           yFract="0.00326185"
                           z3="6.35119"
                           zFract="0.28583213"/>
                     <atom elementType="O"
                           id="a45"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a46"
                           x3="0.09337"
                           xFract="0.0110628"
                           y3="0.08272"
                           yFract="0.00980095"
                           z3="4.20963"
                           zFract="0.1894523"/>
                     <atom elementType="O"
                           id="a47"
                           x3="-0.00958"
                           xFract="-0.00113507"
                           y3="-0.00274"
                           yFract="-0.00032464"
                           z3="8.50382"
                           zFract="0.38271017"/>
                     <atom elementType="O"
                           id="a48"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a49"
                           x3="2.07546"
                           xFract="0.24590758"
                           y3="2.10302"
                           yFract="0.24917299"
                           z3="4.26139"
                           zFract="0.19178173"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11503"
                           xFract="0.25059597"
                           y3="2.11274"
                           yFract="0.25032464"
                           z3="8.55226"
                           zFract="0.38489019"/>
                     <atom elementType="O"
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                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
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                           x3="4.26235"
                           xFract="0.50501777"
                           y3="1.96536"
                           yFract="0.23286256"
                           z3="6.37109"
                           zFract="0.28672772"/>
                     <atom elementType="O"
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                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           x3="6.38547"
                           xFract="0.75657227"
                           y3="0.01293"
                           yFract="0.00153199"
                           z3="6.30523"
                           zFract="0.28376373"/>
                     <atom elementType="O"
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                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a56"
                           x3="4.12586"
                           xFract="0.48884597"
                           y3="0.02335"
                           yFract="0.00276659"
                           z3="4.40318"
                           zFract="0.19816292"/>
                     <atom elementType="O"
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                           x3="4.22638"
                           xFract="0.50075592"
                           y3="0.00638"
                           yFract="0.00075592"
                           z3="8.39678"
                           zFract="0.37789289"/>
                     <atom elementType="O"
                           id="a58"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
                           id="a59"
                           x3="6.37364"
                           xFract="0.75517062"
                           y3="2.20297"
                           yFract="0.2610154"
                           z3="4.23338"
                           zFract="0.19052115"/>
                     <atom elementType="O"
                           id="a60"
                           x3="6.32992"
                           xFract="0.74999052"
                           y3="2.0929"
                           yFract="0.24797393"
                           z3="8.4651"
                           zFract="0.3809676"/>
                     <atom elementType="O"
                           id="a61"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a62"
                           x3="0.02478"
                           xFract="0.00293602"
                           y3="6.39368"
                           yFract="0.75754502"
                           z3="6.22427"
                           zFract="0.28012016"/>
                     <atom elementType="O"
                           id="a63"
                           x3="2.1100"
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                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a35 a49" order="S"/>
                     <bond atomRefs2="a36 a55" order="S"/>
                     <bond atomRefs2="a36 a51" order="S"/>
                     <bond atomRefs2="a36 a53" order="S"/>
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                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="Cu Mg Ni O Zn"/>
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                  <property dictRef="cml:molmass">
                     <scalar units="unit:dalton">2759.510000000007</scalar>
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               <molecule id="calculation.position.19">
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                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                           y3="0.00365"
                           yFract="0.00043246"
                           z3="4.25503"
                           zFract="0.1914955"/>
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                           y3="6.3300"
                           yFract="0.7500"
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                           zFract="0.0000"/>
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                           y3="0.00769"
                           yFract="0.00091114"
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                           zFract="0.28544059"/>
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                           xFract="0.00291232"
                           y3="2.12387"
                           yFract="0.25164336"
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                           xFract="0.0000"
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                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           y3="0.02068"
                           yFract="0.00245024"
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                           xFract="0.50238981"
                           y3="6.30385"
                           yFract="0.74690166"
                           z3="8.45177"
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                           yFract="0.50212322"
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                           zFract="0.18926508"/>
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                           yFract="0.49863389"
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                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
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                           xFract="0.75055924"
                           y3="-0.05049"
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                           z3="8.3802"
                           zFract="0.37714671"/>
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                           y3="2.11493"
                           yFract="0.25058412"
                           z3="8.43683"
                           zFract="0.37969532"/>
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                           y3="4.2200"
                           yFract="0.5000"
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                           zFract="0.09495005"/>
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                           xFract="0.75129265"
                           y3="2.12201"
                           yFract="0.25142299"
                           z3="6.32061"
                           zFract="0.2844559"/>
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                           x3="4.24157"
                           xFract="0.50255569"
                           y3="2.13647"
                           yFract="0.25313626"
                           z3="8.42114"
                           zFract="0.3789892"/>
                     <atom elementType="Mg"
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                           x3="2.1245"
                           xFract="0.25171801"
                           y3="4.24725"
                           yFract="0.50322867"
                           z3="8.44042"
                           zFract="0.37985689"/>
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                           x3="2.10045"
                           xFract="0.24886848"
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                           z3="8.42104"
                           zFract="0.3789847"/>
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                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.7529609"
                           y3="-0.03924"
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                           zFract="0.19081818"/>
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                           yFract="0.49896209"
                           z3="8.63475"
                           zFract="0.38860261"/>
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                           xFract="0.50506635"
                           y3="4.24857"
                           yFract="0.50338507"
                           z3="6.37722"
                           zFract="0.2870036"/>
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                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
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                           xFract="0.2500"
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                           yFract="0.2500"
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                           y3="6.3300"
                           yFract="0.7500"
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                           xFract="0.0000"
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                           zFract="0.09495005"/>
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                           xFract="0.74797393"
                           y3="6.26748"
                           yFract="0.74259242"
                           z3="6.38201"
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                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
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                     <bond atomRefs2="a38 a64" order="S"/>
                     <bond atomRefs2="a38 a52" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a70" order="S"/>
                     <bond atomRefs2="a40 a69" order="S"/>
                     <bond atomRefs2="a40 a64" order="S"/>
                     <bond atomRefs2="a40 a62" order="S"/>
                     <bond atomRefs2="a40 a72" order="S"/>
                  </bondArray>
                  <formula concise="Cu10Mg10Ni10O40Zn10">
                     <atomArray count="10 10 10 40 10" elementType="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="80">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</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="80">0.008 0.005 -0.002 0.001 0.006 -0.002 0.005 0.009 0.007 0.008 0.001 -0.001 0.001 -0.001 -0.000 0.002 -0.000 0.001 0.005 0.000 0.006 0.002 -0.004 -0.003 -0.004 -0.006 -0.004 -0.002 0.013 0.001 0.006 -0.001 -0.004 0.006 0.003 -0.004 -0.003 -0.002 0.007 -0.003 0.016 0.007 0.012 0.005 0.006 0.010 0.005 0.010 0.016 0.000 0.002 -0.001 0.002 0.001 0.007 0.001 0.003 0.004 0.006 -0.002 0.003 0.003 0.010 0.006 0.004 0.015 -0.001 0.009 0.013 0.004 0.007 0.005 0.008 0.008 0.004 0.010 0.004 0.004 0.004 0.003</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="80">0.009 0.006 -0.006 0.000 0.005 0.003 0.010 0.012 0.003 0.009 0.002 -0.003 0.002 0.001 0.001 0.003 -0.000 0.001 0.004 0.001 0.005 0.002 -0.003 -0.000 -0.002 -0.001 -0.004 -0.001 0.005 0.003 0.005 0.006 0.006 0.009 0.005 -0.003 0.005 0.000 0.005 0.001 0.197 0.097 0.209 0.053 0.029 0.060 0.071 0.158 0.172 0.005 0.051 0.019 0.045 -0.014 0.076 0.000 0.029 0.042 0.041 -0.043 0.051 0.037 0.214 0.094 0.060 0.175 -0.022 0.124 0.159 0.043 0.187 0.142 0.137 0.132 0.043 0.139 0.062 0.049 0.106 0.037</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="80">1.298 1.295 1.307 1.306 1.264 -0.664 1.463 1.495 1.085 1.467 0.001 -0.001 0.001 0.001 0.001 0.001 -0.000 0.001 0.001 0.000 -0.291 -0.408 0.362 0.546 0.539 0.557 0.585 0.467 -0.369 -0.337 0.004 0.016 0.015 0.010 0.007 0.001 0.020 0.005 0.004 0.012 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="80">1.314 1.305 1.299 1.307 1.275 -0.663 1.478 1.516 1.094 1.484 0.003 -0.004 0.004 0.001 0.002 0.006 -0.001 0.003 0.010 0.002 -0.279 -0.404 0.355 0.543 0.533 0.550 0.577 0.463 -0.351 -0.333 0.015 0.022 0.017 0.025 0.015 -0.006 0.022 0.003 0.016 0.010 0.213 0.105 0.221 0.059 0.034 0.069 0.076 0.168 0.188 0.005 0.053 0.018 0.046 -0.013 0.083 0.001 0.032 0.046 0.047 -0.045 0.054 0.040 0.224 0.100 0.064 0.190 -0.023 0.133 0.172 0.047 0.194 0.148 0.145 0.140 0.047 0.149 0.066 0.053 0.110 0.040</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.287</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">3.376</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">13.064</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">16.728</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-421.53737946</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-421.52403244</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-421.53070595</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.6957</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.8833961E-02</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="Ni"
                        id="a1"
                        x3="2.10153"
                        xFract="0.24899645"
                        y3="0.00365"
                        yFract="0.00043246"
                        z3="4.25503"
                        zFract="0.1914955"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="-0.01095"
                        xFract="-0.00129739"
                        y3="0.00769"
                        yFract="0.00091114"
                        z3="6.34249"
                        zFract="0.28544059"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="0.02458"
                        xFract="0.00291232"
                        y3="2.12387"
                        yFract="0.25164336"
                        z3="4.23313"
                        zFract="0.1905099"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.21668"
                        xFract="0.49960664"
                        y3="0.02068"
                        yFract="0.00245024"
                        z3="6.38684"
                        zFract="0.28743654"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="4.24017"
                        xFract="0.50238981"
                        y3="6.30385"
                        yFract="0.74690166"
                        z3="8.45177"
                        zFract="0.38036769"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.09082"
                        xFract="0.24772749"
                        y3="4.23792"
                        yFract="0.50212322"
                        z3="4.20547"
                        zFract="0.18926508"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="6.33707"
                        xFract="0.75083768"
                        y3="4.20847"
                        yFract="0.49863389"
                        z3="4.16756"
                        zFract="0.18755896"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="6.33472"
                        xFract="0.75055924"
                        y3="-0.05049"
                        yFract="-0.00598223"
                        z3="8.3802"
                        zFract="0.37714671"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="-0.01806"
                        xFract="-0.00213981"
                        y3="2.11493"
                        yFract="0.25058412"
                        z3="8.43683"
                        zFract="0.37969532"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="6.34091"
                        xFract="0.75129265"
                        y3="2.12201"
                        yFract="0.25142299"
                        z3="6.32061"
                        zFract="0.2844559"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.24157"
                        xFract="0.50255569"
                        y3="2.13647"
                        yFract="0.25313626"
                        z3="8.42114"
                        zFract="0.3789892"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="2.1245"
                        xFract="0.25171801"
                        y3="4.24725"
                        yFract="0.50322867"
                        z3="8.44042"
                        zFract="0.37985689"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="2.10045"
                        xFract="0.24886848"
                        y3="-0.02261"
                        yFract="-0.00267891"
                        z3="8.42104"
                        zFract="0.3789847"/>
                  <atom elementType="Mg"
                        id="a19"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a20"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.35499"
                        xFract="0.7529609"
                        y3="-0.03924"
                        yFract="-0.00464929"
                        z3="4.23998"
                        zFract="0.19081818"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.32184"
                        xFract="0.74903318"
                        y3="4.21124"
                        yFract="0.49896209"
                        z3="8.63475"
                        zFract="0.38860261"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.26276"
                        xFract="0.50506635"
                        y3="4.24857"
                        yFract="0.50338507"
                        z3="6.37722"
                        zFract="0.2870036"/>
                  <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="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.3129"
                        xFract="0.74797393"
                        y3="6.26748"
                        yFract="0.74259242"
                        z3="6.38201"
                        zFract="0.28721917"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="-0.00786"
                        xFract="-0.00093128"
                        y3="6.34638"
                        yFract="0.75194076"
                        z3="4.1669"
                        zFract="0.18752925"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="-0.04502"
                        xFract="-0.00533412"
                        y3="4.26142"
                        yFract="0.50490758"
                        z3="6.36896"
                        zFract="0.28663186"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="4.23892"
                        xFract="0.50224171"
                        y3="6.32172"
                        yFract="0.74901896"
                        z3="4.25634"
                        zFract="0.19155446"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="4.20969"
                        xFract="0.49877844"
                        y3="2.1244"
                        yFract="0.25170616"
                        z3="4.23938"
                        zFract="0.19079118"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="2.1009"
                        xFract="0.2489218"
                        y3="2.1323"
                        yFract="0.25264218"
                        z3="6.38182"
                        zFract="0.28721062"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="-0.02147"
                        xFract="-0.00254384"
                        y3="6.32772"
                        yFract="0.74972986"
                        z3="8.48494"
                        zFract="0.38186049"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="2.09732"
                        xFract="0.24849763"
                        y3="6.33607"
                        yFract="0.75071919"
                        z3="6.35697"
                        zFract="0.28609226"/>
                  <atom elementType="O"
                        id="a41"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a42"
                        x3="-0.03508"
                        xFract="-0.0041564"
                        y3="2.07512"
                        yFract="0.2458673"
                        z3="6.35016"
                        zFract="0.28578578"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a44"
                        x3="2.03177"
                        xFract="0.24073104"
                        y3="0.02747"
                        yFract="0.00325474"
                        z3="6.35554"
                        zFract="0.2860279"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.09032"
                        xFract="0.01070142"
                        y3="0.08051"
                        yFract="0.0095391"
                        z3="4.20884"
                        zFract="0.18941674"/>
                  <atom elementType="O"
                        id="a47"
                        x3="-0.01017"
                        xFract="-0.00120498"
                        y3="-0.00275"
                        yFract="-0.00032583"
                        z3="8.50351"
                        zFract="0.38269622"/>
                  <atom elementType="O"
                        id="a48"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a49"
                        x3="2.07604"
                        xFract="0.2459763"
                        y3="2.10406"
                        yFract="0.24929621"
                        z3="4.26285"
                        zFract="0.19184743"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.11562"
                        xFract="0.25066588"
                        y3="2.1142"
                        yFract="0.25049763"
                        z3="8.55651"
                        zFract="0.38508146"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a52"
                        x3="4.26167"
                        xFract="0.5049372"
                        y3="1.96399"
                        yFract="0.23270024"
                        z3="6.37449"
                        zFract="0.28688074"/>
                  <atom elementType="O"
                        id="a53"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a54"
                        x3="6.38861"
                        xFract="0.75694431"
                        y3="0.01131"
                        yFract="0.00134005"
                        z3="6.30767"
                        zFract="0.28387354"/>
                  <atom elementType="O"
                        id="a55"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a56"
                        x3="4.1277"
                        xFract="0.48906398"
                        y3="0.02497"
                        yFract="0.00295853"
                        z3="4.40861"
                        zFract="0.19840729"/>
                  <atom elementType="O"
                        id="a57"
                        x3="4.22543"
                        xFract="0.50064336"
                        y3="0.00798"
                        yFract="0.0009455"
                        z3="8.39364"
                        zFract="0.37775158"/>
                  <atom elementType="O"
                        id="a58"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a59"
                        x3="6.37376"
                        xFract="0.75518483"
                        y3="2.20224"
                        yFract="0.26092891"
                        z3="4.23391"
                        zFract="0.190545"/>
                  <atom elementType="O"
                        id="a60"
                        x3="6.32979"
                        xFract="0.74997512"
                        y3="2.09049"
                        yFract="0.24768839"
                        z3="8.46435"
                        zFract="0.38093384"/>
                  <atom elementType="O"
                        id="a61"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a62"
                        x3="0.02403"
                        xFract="0.00284716"
                        y3="6.39279"
                        yFract="0.75743957"
                        z3="6.23253"
                        zFract="0.2804919"/>
                  <atom elementType="O"
                        id="a63"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="O"
                        id="a64"
                        x3="2.12626"
                        xFract="0.25192654"
                        y3="4.22363"
                        yFract="0.50043009"
                        z3="6.34563"
                        zFract="0.28558191"/>
                  <atom elementType="O"
                        id="a65"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="O"
                        id="a66"
                        x3="0.03527"
                        xFract="0.00417891"
                        y3="4.13695"
                        yFract="0.49015995"
                        z3="4.25373"
                        zFract="0.19143699"/>
                  <atom elementType="O"
                        id="a67"
                        x3="0.01013"
                        xFract="0.00120024"
                        y3="4.2190"
                        yFract="0.49988152"
                        z3="8.50114"
                        zFract="0.38258956"/>
                  <atom elementType="O"
                        id="a68"
                        x3="2.1100"
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         </module>
      </module>
   </module>
</module>
