<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">6.3.2</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">27Jun22 (build Feb 11 2023 09:31:23) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">LinuxIFC</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2024-02-13T10:55:09.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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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>
               </crystal>
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                        y3="2.1100"
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                        zFract="0.28485998"/>
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                        id="a2"
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                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
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                        id="a3"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
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                        zFract="0.37981999"/>
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                        zFract="0.0000"/>
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                        y3="6.3300"
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                        xFract="0.2500"
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                        id="a26"
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                        y3="4.2200"
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                        id="a28"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="8.43960018"
                        zFract="0.37981999"/>
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                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                  <scalar units="unit:dalton">2759.510000000007</scalar>
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               <parameter dictRef="v:ispin">
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               <parameter dictRef="v:idipol">
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                  <scalar dataType="xsd:string">0</scalar>
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               <parameter dictRef="v:lhfone">
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                         dictRef="v:pseudopotential"
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               </module>
            </module>
            <module dictRef="cc:userDefinedModule" id="positions">
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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>
                  </crystal>
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                           yFract="0.2500"
                           z3="6.32959"
                           zFract="0.28486004"/>
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                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a3"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
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                           id="a4"
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                           yFract="0.7500"
                           z3="6.32959"
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                           id="a5"
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                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="8.4396"
                           zFract="0.37981998"/>
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                           yFract="0.7500"
                           z3="8.4396"
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                           id="a7"
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                           y3="4.2200"
                           yFract="0.5000"
                           z3="8.4396"
                           zFract="0.37981998"/>
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                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
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                           id="a9"
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                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="6.32959"
                           zFract="0.28486004"/>
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                           id="a11"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="4.2198"
                           zFract="0.18990999"/>
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                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
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                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a13"
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                           xFract="0.7500"
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                           yFract="0.2500"
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                           id="a14"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
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                           id="a15"
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                           id="a16"
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                           id="a18"
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                           id="a19"
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                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a66" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a28 a54" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a44" order="S"/>
                     <bond atomRefs2="a29 a50" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a30 a74" order="S"/>
                     <bond atomRefs2="a30 a72" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a31 a43" order="S"/>
                     <bond atomRefs2="a31 a45" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a32 a41" order="S"/>
                     <bond atomRefs2="a32 a45" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a35 a79" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a38 a59" order="S"/>
                     <bond atomRefs2="a38 a54" order="S"/>
                     <bond atomRefs2="a38 a56" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a45" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a65" 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="6.32833"
                           xFract="0.74980213"
                           y3="2.10154"
                           yFract="0.24899763"
                           z3="6.34754"
                           zFract="0.28566787"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.1166"
                           xFract="0.25078199"
                           y3="4.21673"
                           yFract="0.49961256"
                           z3="8.43132"
                           zFract="0.37944734"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11192"
                           xFract="0.25022749"
                           y3="6.33468"
                           yFract="0.7505545"
                           z3="6.33743"
                           zFract="0.28521287"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.21657"
                           xFract="0.4995936"
                           y3="2.1024"
                           yFract="0.24909953"
                           z3="8.42606"
                           zFract="0.37921062"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.22276"
                           xFract="0.50032701"
                           y3="6.33758"
                           yFract="0.7508981"
                           z3="8.42296"
                           zFract="0.37907111"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.32181"
                           xFract="0.74902962"
                           y3="4.22288"
                           yFract="0.50034123"
                           z3="8.43039"
                           zFract="0.37940549"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.00453"
                           xFract="0.00053673"
                           y3="4.22021"
                           yFract="0.50002488"
                           z3="6.33694"
                           zFract="0.28519082"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.21412"
                           xFract="0.49930332"
                           y3="6.34267"
                           yFract="0.75150118"
                           z3="4.20792"
                           zFract="0.18937534"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.00348"
                           xFract="-0.00041232"
                           y3="-0.00685"
                           yFract="-0.00081161"
                           z3="6.34067"
                           zFract="0.28535869"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1133"
                           xFract="0.250391"
                           y3="2.10737"
                           yFract="0.24968839"
                           z3="6.34323"
                           zFract="0.2854739"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.21945"
                           xFract="0.49993483"
                           y3="4.22172"
                           yFract="0.50020379"
                           z3="6.34247"
                           zFract="0.28543969"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.00712"
                           xFract="0.0008436"
                           y3="2.11573"
                           yFract="0.25067891"
                           z3="4.2195"
                           zFract="0.18989649"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21948"
                           xFract="0.49993839"
                           y3="-0.00038"
                           yFract="-0.00004502"
                           z3="6.3470"
                           zFract="0.28564356"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.11335"
                           xFract="0.25039692"
                           y3="-0.00074"
                           yFract="-0.00008768"
                           z3="4.22814"
                           zFract="0.19028533"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.10685"
                           xFract="0.24962678"
                           y3="4.22136"
                           yFract="0.50016114"
                           z3="4.22389"
                           zFract="0.19009406"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.32279"
                           xFract="0.74914573"
                           y3="-0.00067"
                           yFract="-0.00007938"
                           z3="8.47361"
                           zFract="0.38135059"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.11706"
                           xFract="0.25083649"
                           y3="0.00148"
                           yFract="0.00017536"
                           z3="8.4606"
                           zFract="0.38076508"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32923"
                           xFract="0.74990877"
                           y3="6.33684"
                           yFract="0.75081043"
                           z3="6.34218"
                           zFract="0.28542664"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00367"
                           xFract="0.00043483"
                           y3="6.3271"
                           yFract="0.7496564"
                           z3="4.21555"
                           zFract="0.18971872"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21433"
                           xFract="0.4993282"
                           y3="2.10292"
                           yFract="0.24916114"
                           z3="4.21303"
                           zFract="0.18960531"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.33464"
                           xFract="0.75054976"
                           y3="4.22416"
                           yFract="0.50049289"
                           z3="4.21363"
                           zFract="0.18963231"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.00179"
                           xFract="0.00021209"
                           y3="2.10605"
                           yFract="0.24953199"
                           z3="8.44909"
                           zFract="0.38024707"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32483"
                           xFract="0.74938744"
                           y3="-0.00408"
                           yFract="-0.00048341"
                           z3="4.22677"
                           zFract="0.19022367"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.00173"
                           xFract="-0.00020498"
                           y3="6.33388"
                           yFract="0.75045972"
                           z3="8.45023"
                           zFract="0.38029838"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <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="0.00071"
                           xFract="0.00008412"
                           y3="2.10487"
                           yFract="0.24939218"
                           z3="6.30261"
                           zFract="0.28364581"/>
                     <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="2.09687"
                           xFract="0.24844431"
                           y3="-0.00759"
                           yFract="-0.00089929"
                           z3="6.3050"
                           zFract="0.28375338"/>
                     <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="-0.00301"
                           xFract="-0.00035664"
                           y3="0.02086"
                           yFract="0.00247156"
                           z3="4.2398"
                           zFract="0.19081008"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00097"
                           xFract="0.00011493"
                           y3="-0.0013"
                           yFract="-0.00015403"
                           z3="8.43799"
                           zFract="0.37974752"/>
                     <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="2.09311"
                           xFract="0.24799882"
                           y3="2.11243"
                           yFract="0.25028791"
                           z3="4.2199"
                           zFract="0.18991449"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.11987"
                           xFract="0.25116943"
                           y3="2.13141"
                           yFract="0.25253673"
                           z3="8.43244"
                           zFract="0.37949775"/>
                     <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="4.22492"
                           xFract="0.50058294"
                           y3="2.13147"
                           yFract="0.25254384"
                           z3="6.35059"
                           zFract="0.28580513"/>
                     <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="6.34251"
                           xFract="0.75148223"
                           y3="0.01732"
                           yFract="0.00205213"
                           z3="6.29482"
                           zFract="0.28329523"/>
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                           id="a55"
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                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.50005095"
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                           yFract="-0.00153318"
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                           zFract="0.1899883"/>
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                           xFract="0.49987322"
                           y3="-0.00025"
                           yFract="-0.00002962"
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                           zFract="0.38017237"/>
                     <atom elementType="O"
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                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
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                           xFract="0.75229147"
                           y3="2.11319"
                           yFract="0.25037796"
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                           id="a60"
                           x3="6.31925"
                           xFract="0.7487263"
                           y3="2.12659"
                           yFract="0.25196564"
                           z3="8.42456"
                           zFract="0.37914311"/>
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                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
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                           zFract="0.09495005"/>
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                           xFract="0.00279384"
                           y3="6.32935"
                           yFract="0.74992299"
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                           zFract="0.28459631"/>
                     <atom elementType="O"
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
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                           x3="2.10919"
                           xFract="0.24990403"
                           y3="4.22562"
                           yFract="0.50066588"
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                           zFract="0.28586454"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           x3="0.00255"
                           xFract="0.00030213"
                           y3="4.20156"
                           yFract="0.49781517"
                           z3="4.23328"
                           zFract="0.19051665"/>
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                           id="a67"
                           x3="-0.00196"
                           xFract="-0.00023223"
                           y3="4.22101"
                           yFract="0.50011967"
                           z3="8.44234"
                           zFract="0.37994329"/>
                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="O"
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                           x3="2.12689"
                           xFract="0.25200118"
                           y3="6.32688"
                           yFract="0.74963033"
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                           zFract="0.19070927"/>
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                           xFract="0.25120498"
                           y3="6.31001"
                           yFract="0.74763152"
                           z3="8.42191"
                           zFract="0.37902385"/>
                     <atom elementType="O"
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                           x3="4.2200"
                           xFract="0.5000"
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                     <bond atomRefs2="a33 a66" order="S"/>
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                     <bond atomRefs2="a35 a73" 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">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</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="6.32665"
                           xFract="0.74960308"
                           y3="2.09304"
                           yFract="0.24799052"
                           z3="6.36555"
                           zFract="0.2864784"/>
                     <atom elementType="Ni"
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                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
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                           x3="2.12322"
                           xFract="0.25156635"
                           y3="4.21345"
                           yFract="0.49922393"
                           z3="8.42301"
                           zFract="0.37907336"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11385"
                           xFract="0.25045616"
                           y3="6.33938"
                           yFract="0.75111137"
                           z3="6.3453"
                           zFract="0.28556706"/>
                     <atom elementType="Ni"
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                           x3="4.21313"
                           xFract="0.49918602"
                           y3="2.09477"
                           yFract="0.2481955"
                           z3="8.41248"
                           zFract="0.37859946"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.22554"
                           xFract="0.5006564"
                           y3="6.34518"
                           yFract="0.75179858"
                           z3="8.40627"
                           zFract="0.37831998"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.31359"
                           xFract="0.74805569"
                           y3="4.22577"
                           yFract="0.50068365"
                           z3="8.42116"
                           zFract="0.3789901"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.00907"
                           xFract="0.00107464"
                           y3="4.22043"
                           yFract="0.50005095"
                           z3="6.34431"
                           zFract="0.2855225"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.20822"
                           xFract="0.49860427"
                           y3="6.35537"
                           yFract="0.75300592"
                           z3="4.19599"
                           zFract="0.18883843"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.00698"
                           xFract="-0.00082701"
                           y3="-0.01372"
                           yFract="-0.00162559"
                           z3="6.35179"
                           zFract="0.28585914"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11662"
                           xFract="0.25078436"
                           y3="2.10474"
                           yFract="0.24937678"
                           z3="6.35691"
                           zFract="0.28608956"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.21891"
                           xFract="0.49987085"
                           y3="4.22345"
                           yFract="0.50040877"
                           z3="6.3554"
                           zFract="0.2860216"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01427"
                           xFract="0.00169076"
                           y3="2.12147"
                           yFract="0.251359"
                           z3="4.2192"
                           zFract="0.18988299"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.21896"
                           xFract="0.49987678"
                           y3="-0.00076"
                           yFract="-0.00009005"
                           z3="6.36448"
                           zFract="0.28643024"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a25"
                           x3="2.11672"
                           xFract="0.25079621"
                           y3="-0.00148"
                           yFract="-0.00017536"
                           z3="4.2365"
                           zFract="0.19066157"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.1037"
                           xFract="0.24925355"
                           y3="4.22272"
                           yFract="0.50032227"
                           z3="4.22799"
                           zFract="0.19027858"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.31556"
                           xFract="0.7482891"
                           y3="-0.00133"
                           yFract="-0.00015758"
                           z3="8.50773"
                           zFract="0.38288614"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.12414"
                           xFract="0.25167536"
                           y3="0.00297"
                           yFract="0.0003519"
                           z3="8.48166"
                           zFract="0.38171287"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32846"
                           xFract="0.74981754"
                           y3="6.34369"
                           yFract="0.75162204"
                           z3="6.3548"
                           zFract="0.2859946"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00736"
                           xFract="0.00087204"
                           y3="6.32419"
                           yFract="0.74931161"
                           z3="4.21128"
                           zFract="0.18952655"/>
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                           x3="4.20865"
                           xFract="0.49865521"
                           y3="2.09583"
                           yFract="0.24832109"
                           z3="4.20624"
                           zFract="0.18929973"/>
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                           x3="6.3393"
                           xFract="0.7511019"
                           y3="4.22833"
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                     <bond atomRefs2="a31 a45" order="S"/>
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                     <bond atomRefs2="a32 a45" order="S"/>
                     <bond atomRefs2="a32 a41" order="S"/>
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                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
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                     <bond atomRefs2="a34 a52" order="S"/>
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                     <bond atomRefs2="a35 a79" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a38 a54" order="S"/>
                     <bond atomRefs2="a38 a56" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
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                     <bond atomRefs2="a39 a62" order="S"/>
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                     <bond atomRefs2="a40 a41" order="S"/>
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                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a65" 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="6.34946"
                           xFract="0.75230569"
                           y3="2.09519"
                           yFract="0.24824526"
                           z3="6.33919"
                           zFract="0.28529208"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.14132"
                           xFract="0.2537109"
                           y3="4.21634"
                           yFract="0.49956635"
                           z3="8.41743"
                           zFract="0.37882223"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.12193"
                           xFract="0.25141351"
                           y3="6.3367"
                           yFract="0.75079384"
                           z3="6.34372"
                           zFract="0.28549595"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2100"
                           xFract="0.49881517"
                           y3="2.09425"
                           yFract="0.24813389"
                           z3="8.41026"
                           zFract="0.37849955"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.22673"
                           xFract="0.50079739"
                           y3="6.3476"
                           yFract="0.75208531"
                           z3="8.37792"
                           zFract="0.3770441"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.29484"
                           xFract="0.74583412"
                           y3="4.22672"
                           yFract="0.50079621"
                           z3="8.41828"
                           zFract="0.37886049"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.00735"
                           xFract="0.00087085"
                           y3="4.20376"
                           yFract="0.49807583"
                           z3="6.36069"
                           zFract="0.28625968"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.20488"
                           xFract="0.49820853"
                           y3="6.35309"
                           yFract="0.75273578"
                           z3="4.19675"
                           zFract="0.18887264"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.0140"
                           xFract="-0.00165877"
                           y3="-0.00845"
                           yFract="-0.00100118"
                           z3="6.35439"
                           zFract="0.28597615"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.10751"
                           xFract="0.24970498"
                           y3="2.09472"
                           yFract="0.24818957"
                           z3="6.35689"
                           zFract="0.28608866"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.22689"
                           xFract="0.50081635"
                           y3="4.23227"
                           yFract="0.50145379"
                           z3="6.35277"
                           zFract="0.28590324"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01005"
                           xFract="0.00119076"
                           y3="2.11158"
                           yFract="0.2501872"
                           z3="4.22129"
                           zFract="0.18997705"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.22836"
                           xFract="0.50099052"
                           y3="-0.0104"
                           yFract="-0.00123223"
                           z3="6.39246"
                           zFract="0.28768947"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.09399"
                           xFract="0.24810308"
                           y3="-0.00119"
                           yFract="-0.000141"
                           z3="4.23728"
                           zFract="0.19069667"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11355"
                           xFract="0.25042062"
                           y3="4.22374"
                           yFract="0.50044313"
                           z3="4.25466"
                           zFract="0.19147885"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.29843"
                           xFract="0.74625948"
                           y3="-0.00232"
                           yFract="-0.00027488"
                           z3="8.56745"
                           zFract="0.38557381"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13962"
                           xFract="0.25350948"
                           y3="0.00051"
                           yFract="0.00006043"
                           z3="8.51471"
                           zFract="0.38320027"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32046"
                           xFract="0.74886967"
                           y3="6.34986"
                           yFract="0.75235308"
                           z3="6.36169"
                           zFract="0.28630468"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.01101"
                           xFract="0.0013045"
                           y3="6.33413"
                           yFract="0.75048934"
                           z3="4.21089"
                           zFract="0.189509"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21154"
                           xFract="0.49899763"
                           y3="2.09805"
                           yFract="0.24858412"
                           z3="4.21865"
                           zFract="0.18985824"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.33389"
                           xFract="0.7504609"
                           y3="4.22398"
                           yFract="0.50047156"
                           z3="4.22499"
                           zFract="0.19014356"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.00271"
                           xFract="0.00032109"
                           y3="2.10229"
                           yFract="0.24908649"
                           z3="8.44753"
                           zFract="0.38017687"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.33006"
                           xFract="0.75000711"
                           y3="-0.00198"
                           yFract="-0.0002346"
                           z3="4.21863"
                           zFract="0.18985734"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.00427"
                           xFract="-0.00050592"
                           y3="6.33618"
                           yFract="0.75073223"
                           z3="8.47404"
                           zFract="0.38136994"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <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="0.01036"
                           xFract="0.00122749"
                           y3="2.10395"
                           yFract="0.24928318"
                           z3="6.31039"
                           zFract="0.28399595"/>
                     <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="2.08341"
                           xFract="0.24684953"
                           y3="-0.02018"
                           yFract="-0.002391"
                           z3="6.26018"
                           zFract="0.28173627"/>
                     <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="0.00837"
                           xFract="0.00099171"
                           y3="0.02529"
                           yFract="0.00299645"
                           z3="4.2549"
                           zFract="0.19148965"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00282"
                           xFract="0.00033412"
                           y3="-0.00287"
                           yFract="-0.00034005"
                           z3="8.45919"
                           zFract="0.38070162"/>
                     <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="2.10323"
                           xFract="0.24919787"
                           y3="2.13624"
                           yFract="0.253109"
                           z3="4.22362"
                           zFract="0.19008191"/>
                     <atom elementType="O"
                           id="a50"
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                     <bond atomRefs2="a19 a48" order="S"/>
                     <bond atomRefs2="a20 a61" order="S"/>
                     <bond atomRefs2="a20 a65" order="S"/>
                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a21 a71" order="S"/>
                     <bond atomRefs2="a21 a78" order="S"/>
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                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a23 a54" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a68" order="S"/>
                     <bond atomRefs2="a24 a63" order="S"/>
                     <bond atomRefs2="a24 a61" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a46" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a53" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a27 a66" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a31 a43" order="S"/>
                     <bond atomRefs2="a31 a45" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a45" order="S"/>
                     <bond atomRefs2="a32 a41" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a35 a79" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a38 a54" order="S"/>
                     <bond atomRefs2="a38 a56" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a59" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a45" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a65" 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="6.33815"
                           xFract="0.75096564"
                           y3="2.10127"
                           yFract="0.24896564"
                           z3="6.34206"
                           zFract="0.28542124"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.14567"
                           xFract="0.2542263"
                           y3="4.21719"
                           yFract="0.49966706"
                           z3="8.42638"
                           zFract="0.37922502"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10329"
                           xFract="0.24920498"
                           y3="6.32748"
                           yFract="0.74970142"
                           z3="6.33782"
                           zFract="0.28523042"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.21244"
                           xFract="0.49910427"
                           y3="2.10083"
                           yFract="0.24891351"
                           z3="8.40391"
                           zFract="0.37821377"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.22591"
                           xFract="0.50070024"
                           y3="6.34284"
                           yFract="0.75152133"
                           z3="8.37913"
                           zFract="0.37709856"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.29129"
                           xFract="0.74541351"
                           y3="4.21715"
                           yFract="0.49966232"
                           z3="8.43348"
                           zFract="0.37954455"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.00997"
                           xFract="0.00118128"
                           y3="4.21657"
                           yFract="0.4995936"
                           z3="6.37709"
                           zFract="0.28699775"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.20334"
                           xFract="0.49802607"
                           y3="6.35745"
                           yFract="0.75325237"
                           z3="4.20458"
                           zFract="0.18922502"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.01469"
                           xFract="-0.00174052"
                           y3="-0.01932"
                           yFract="-0.0022891"
                           z3="6.37337"
                           zFract="0.28683033"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11987"
                           xFract="0.25116943"
                           y3="2.09052"
                           yFract="0.24769194"
                           z3="6.35447"
                           zFract="0.28597975"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.23005"
                           xFract="0.50119076"
                           y3="4.22229"
                           yFract="0.50027133"
                           z3="6.35464"
                           zFract="0.2859874"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01802"
                           xFract="0.00213507"
                           y3="2.12081"
                           yFract="0.25128081"
                           z3="4.22352"
                           zFract="0.19007741"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.23991"
                           xFract="0.502359"
                           y3="-0.00612"
                           yFract="-0.00072512"
                           z3="6.40237"
                           zFract="0.28813546"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.0979"
                           xFract="0.24856635"
                           y3="-0.00135"
                           yFract="-0.00015995"
                           z3="4.22537"
                           zFract="0.19016067"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11592"
                           xFract="0.25070142"
                           y3="4.22253"
                           yFract="0.50029976"
                           z3="4.27111"
                           zFract="0.19221917"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.29484"
                           xFract="0.74583412"
                           y3="0.0009"
                           yFract="0.00010664"
                           z3="8.60219"
                           zFract="0.38713726"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.14223"
                           xFract="0.25381872"
                           y3="-0.00084"
                           yFract="-0.00009953"
                           z3="8.53039"
                           zFract="0.38390594"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32488"
                           xFract="0.74939336"
                           y3="6.35459"
                           yFract="0.75291351"
                           z3="6.37201"
                           zFract="0.28676913"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00786"
                           xFract="0.00093128"
                           y3="6.32749"
                           yFract="0.74970261"
                           z3="4.21834"
                           zFract="0.18984428"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21106"
                           xFract="0.49894076"
                           y3="2.0963"
                           yFract="0.24837678"
                           z3="4.23439"
                           zFract="0.19056661"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.33639"
                           xFract="0.75075711"
                           y3="4.23117"
                           yFract="0.50132346"
                           z3="4.23628"
                           zFract="0.19065167"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="-0.00117"
                           xFract="-0.00013863"
                           y3="2.10446"
                           yFract="0.2493436"
                           z3="8.45261"
                           zFract="0.38040549"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32141"
                           xFract="0.74898223"
                           y3="-0.00645"
                           yFract="-0.00076422"
                           z3="4.21533"
                           zFract="0.18970882"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.00488"
                           xFract="-0.0005782"
                           y3="6.33272"
                           yFract="0.75032227"
                           z3="8.47096"
                           zFract="0.38123132"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <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="0.02004"
                           xFract="0.00237441"
                           y3="2.09268"
                           yFract="0.24794787"
                           z3="6.31508"
                           zFract="0.28420702"/>
                     <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="2.08858"
                           xFract="0.24746209"
                           y3="-0.01147"
                           yFract="-0.001359"
                           z3="6.26818"
                           zFract="0.28209631"/>
                     <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="0.00697"
                           xFract="0.00082583"
                           y3="0.02511"
                           yFract="0.00297512"
                           z3="4.25084"
                           zFract="0.19130693"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.00589"
                           xFract="0.00069787"
                           y3="-0.00892"
                           yFract="-0.00105687"
                           z3="8.48018"
                           zFract="0.38164626"/>
                     <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="2.09784"
                           xFract="0.24855924"
                           y3="2.15703"
                           yFract="0.25557227"
                           z3="4.22995"
                           zFract="0.19036679"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13164"
                           xFract="0.25256398"
                           y3="2.2136"
                           yFract="0.26227488"
                           z3="8.43046"
                           zFract="0.37940864"/>
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                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.49971209"
                           y3="2.18448"
                           yFract="0.25882464"
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                           zFract="0.28637399"/>
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                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.75216588"
                           y3="0.08896"
                           yFract="0.01054028"
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                           zFract="0.28222772"/>
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                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
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                           xFract="0.49792654"
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                           yFract="-0.00104384"
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                           zFract="0.19140504"/>
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                           xFract="0.49884479"
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                           yFract="-0.00027488"
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                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
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                           xFract="0.75291114"
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                           yFract="0.25340047"
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                           zFract="0.18937894"/>
                     <atom elementType="O"
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                           x3="6.29958"
                           xFract="0.74639573"
                           y3="2.16323"
                           yFract="0.25630687"
                           z3="8.38777"
                           zFract="0.3774874"/>
                     <atom elementType="O"
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                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
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                           x3="0.1319"
                           xFract="0.01562796"
                           y3="6.3217"
                           yFract="0.74901659"
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                           zFract="0.28523627"/>
                     <atom elementType="O"
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.0957"
                           xFract="0.24830569"
                           y3="4.23198"
                           yFract="0.50141943"
                           z3="6.42048"
                           zFract="0.2889505"/>
                     <atom elementType="O"
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                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           x3="0.02544"
                           xFract="0.00301422"
                           y3="4.1994"
                           yFract="0.49755924"
                           z3="4.27167"
                           zFract="0.19224437"/>
                     <atom elementType="O"
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                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a59" 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.9">
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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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                  <atomArray>
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                           x3="6.3399"
                           xFract="0.75117299"
                           y3="2.09835"
                           yFract="0.24861967"
                           z3="6.34538"
                           zFract="0.28557066"/>
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                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           x3="2.1422"
                           xFract="0.25381517"
                           y3="4.21511"
                           yFract="0.49942062"
                           z3="8.43407"
                           zFract="0.37957111"/>
                     <atom elementType="Ni"
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                           x3="2.11689"
                           xFract="0.25081635"
                           y3="6.32768"
                           yFract="0.74972512"
                           z3="6.34228"
                           zFract="0.28543114"/>
                     <atom elementType="Ni"
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                           x3="4.2100"
                           xFract="0.49881517"
                           y3="2.10185"
                           yFract="0.24903436"
                           z3="8.40587"
                           zFract="0.37830198"/>
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                           x3="4.22265"
                           xFract="0.50031398"
                           y3="6.34153"
                           yFract="0.75136611"
                           z3="8.38059"
                           zFract="0.37716427"/>
                     <atom elementType="Ni"
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                           x3="6.29643"
                           xFract="0.74602251"
                           y3="4.21492"
                           yFract="0.4993981"
                           z3="8.4366"
                           zFract="0.37968497"/>
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
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                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.00127133"
                           y3="4.21501"
                           yFract="0.49940877"
                           z3="6.38281"
                           zFract="0.28725518"/>
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                           x3="4.20225"
                           xFract="0.49789692"
                           y3="6.35716"
                           yFract="0.75321801"
                           z3="4.21129"
                           zFract="0.189527"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
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                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           x3="-0.01114"
                           xFract="-0.00131991"
                           y3="-0.01672"
                           yFract="-0.00198104"
                           z3="6.38062"
                           zFract="0.28715662"/>
                     <atom elementType="Mg"
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                           x3="2.11985"
                           xFract="0.25116706"
                           y3="2.08837"
                           yFract="0.2474372"
                           z3="6.3582"
                           zFract="0.28614761"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.22932"
                           xFract="0.50110427"
                           y3="4.22698"
                           yFract="0.50082701"
                           z3="6.35897"
                           zFract="0.28618227"/>
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                           id="a18"
                           x3="0.02001"
                           xFract="0.00237085"
                           y3="2.12355"
                           yFract="0.25160545"
                           z3="4.23033"
                           zFract="0.19038389"/>
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                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
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                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
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                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a23"
                           x3="4.24283"
                           xFract="0.50270498"
                           y3="-0.00789"
                           yFract="-0.00093483"
                           z3="6.40761"
                           zFract="0.28837129"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.24890995"
                           y3="-0.00145"
                           yFract="-0.0001718"
                           z3="4.22745"
                           zFract="0.19025428"/>
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                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
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                           x3="2.11462"
                           xFract="0.25054739"
                           y3="4.22115"
                           yFract="0.50013626"
                           z3="4.2704"
                           zFract="0.19218722"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.29704"
                           xFract="0.74609479"
                           y3="0.00219"
                           yFract="0.00025948"
                           z3="8.60934"
                           zFract="0.38745905"/>
                     <atom elementType="Cu"
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                           x3="2.13961"
                           xFract="0.25350829"
                           y3="-0.00028"
                           yFract="-0.00003318"
                           z3="8.53138"
                           zFract="0.3839505"/>
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                           x3="6.32441"
                           xFract="0.74933768"
                           y3="6.35716"
                           yFract="0.75321801"
                           z3="6.38328"
                           zFract="0.28727633"/>
                     <atom elementType="Zn"
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
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                  </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>
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                           id="a1"
                           x3="6.34056"
                           xFract="0.75125118"
                           y3="2.09726"
                           yFract="0.24849052"
                           z3="6.34663"
                           zFract="0.28562691"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.14089"
                           xFract="0.25365995"
                           y3="4.21432"
                           yFract="0.49932701"
                           z3="8.43696"
                           zFract="0.37970117"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.1220"
                           xFract="0.2514218"
                           y3="6.32776"
                           yFract="0.7497346"
                           z3="6.34396"
                           zFract="0.28550675"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.20908"
                           xFract="0.49870616"
                           y3="2.10224"
                           yFract="0.24908057"
                           z3="8.40661"
                           zFract="0.37833528"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.22143"
                           xFract="0.50016943"
                           y3="6.34104"
                           yFract="0.75130806"
                           z3="8.38113"
                           zFract="0.37718857"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.29836"
                           xFract="0.74625118"
                           y3="4.21408"
                           yFract="0.49929858"
                           z3="8.43777"
                           zFract="0.37973762"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.01101"
                           xFract="0.0013045"
                           y3="4.21443"
                           yFract="0.49934005"
                           z3="6.38496"
                           zFract="0.28735194"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.20184"
                           xFract="0.49784834"
                           y3="6.35705"
                           yFract="0.75320498"
                           z3="4.21382"
                           zFract="0.18964086"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.0098"
                           xFract="-0.00116114"
                           y3="-0.01574"
                           yFract="-0.00186493"
                           z3="6.38335"
                           zFract="0.28727948"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.11984"
                           xFract="0.25116588"
                           y3="2.08757"
                           yFract="0.24734242"
                           z3="6.35961"
                           zFract="0.28621107"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.22904"
                           xFract="0.50107109"
                           y3="4.22875"
                           yFract="0.50103673"
                           z3="6.36059"
                           zFract="0.28625518"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.02076"
                           xFract="0.00245972"
                           y3="2.12458"
                           yFract="0.25172749"
                           z3="4.23289"
                           zFract="0.1904991"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.24394"
                           xFract="0.50283649"
                           y3="-0.00856"
                           yFract="-0.00101422"
                           z3="6.40958"
                           zFract="0.28845995"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a25"
                           x3="2.1019"
                           xFract="0.24904028"
                           y3="-0.00149"
                           yFract="-0.00017654"
                           z3="4.22823"
                           zFract="0.19028938"/>
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                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11413"
                           xFract="0.25048934"
                           y3="4.22064"
                           yFract="0.50007583"
                           z3="4.27013"
                           zFract="0.19217507"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.29787"
                           xFract="0.74619313"
                           y3="0.00268"
                           yFract="0.00031754"
                           z3="8.61204"
                           zFract="0.38758056"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13862"
                           xFract="0.253391"
                           y3="-0.00007"
                           yFract="-0.00000829"
                           z3="8.53175"
                           zFract="0.38396715"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32423"
                           xFract="0.74931635"
                           y3="6.35812"
                           yFract="0.75333175"
                           z3="6.38751"
                           zFract="0.2874667"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="0.00279"
                           xFract="0.00033057"
                           y3="6.32342"
                           yFract="0.74922038"
                           z3="4.2197"
                           zFract="0.18990549"/>
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                           id="a34"
                           x3="4.21169"
                           xFract="0.4990154"
                           y3="2.09562"
                           yFract="0.24829621"
                           z3="4.23179"
                           zFract="0.19044959"/>
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                           id="a35"
                           x3="6.33992"
                           xFract="0.75117536"
                           y3="4.23501"
                           yFract="0.50177844"
                           z3="4.23245"
                           zFract="0.1904793"/>
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                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           x3="0.00196"
                           xFract="0.00023223"
                           y3="2.1045"
                           yFract="0.24934834"
                           z3="8.45484"
                           zFract="0.38050585"/>
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                           xFract="0.74852607"
                           y3="-0.00761"
                           yFract="-0.00090166"
                           z3="4.2245"
                           zFract="0.19012151"/>
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                           xFract="-0.00059953"
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                           yFract="0.75003555"
                           z3="8.47437"
                           zFract="0.38138479"/>
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                           xFract="0.0000"
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                           yFract="0.2500"
                           z3="0.0000"
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                     <bond atomRefs2="a32 a45" order="S"/>
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                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
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                     <bond atomRefs2="a35 a79" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
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                     <bond atomRefs2="a37 a42" order="S"/>
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                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a38 a54" order="S"/>
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                     <bond atomRefs2="a40 a65" 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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                           id="a1"
                           x3="6.34101"
                           xFract="0.7513045"
                           y3="2.09751"
                           yFract="0.24852014"
                           z3="6.34927"
                           zFract="0.28574572"/>
                     <atom elementType="Ni"
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                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.13741"
                           xFract="0.25324763"
                           y3="4.21436"
                           yFract="0.49933175"
                           z3="8.4423"
                           zFract="0.37994149"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10977"
                           xFract="0.24997275"
                           y3="6.32681"
                           yFract="0.74962204"
                           z3="6.34919"
                           zFract="0.28574212"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.20658"
                           xFract="0.49840995"
                           y3="2.10162"
                           yFract="0.24900711"
                           z3="8.41156"
                           zFract="0.37855806"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.21819"
                           xFract="0.49978555"
                           y3="6.34101"
                           yFract="0.7513045"
                           z3="8.38617"
                           zFract="0.37741539"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.30224"
                           xFract="0.7467109"
                           y3="4.21209"
                           yFract="0.4990628"
                           z3="8.43698"
                           zFract="0.37970207"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.0125"
                           xFract="0.00148104"
                           y3="4.21392"
                           yFract="0.49927962"
                           z3="6.38748"
                           zFract="0.28746535"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.2014"
                           xFract="0.49779621"
                           y3="6.35391"
                           yFract="0.75283294"
                           z3="4.21628"
                           zFract="0.18975158"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.00567"
                           xFract="-0.0006718"
                           y3="-0.0152"
                           yFract="-0.00180095"
                           z3="6.38712"
                           zFract="0.28744914"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12036"
                           xFract="0.25122749"
                           y3="2.08759"
                           yFract="0.24734479"
                           z3="6.36498"
                           zFract="0.28645275"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.22858"
                           xFract="0.50101659"
                           y3="4.22752"
                           yFract="0.500891"
                           z3="6.3655"
                           zFract="0.28647615"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01841"
                           xFract="0.00218128"
                           y3="2.12199"
                           yFract="0.25142062"
                           z3="4.23616"
                           zFract="0.19064626"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.24617"
                           xFract="0.50310071"
                           y3="-0.00961"
                           yFract="-0.00113863"
                           z3="6.41721"
                           zFract="0.28880333"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.09969"
                           xFract="0.24877844"
                           y3="-0.0024"
                           yFract="-0.00028436"
                           z3="4.23588"
                           zFract="0.19063366"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11257"
                           xFract="0.2503045"
                           y3="4.21981"
                           yFract="0.49997749"
                           z3="4.26789"
                           zFract="0.19207426"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.30009"
                           xFract="0.74645616"
                           y3="0.00409"
                           yFract="0.0004846"
                           z3="8.61586"
                           zFract="0.38775248"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13612"
                           xFract="0.25309479"
                           y3="0.0001"
                           yFract="0.00001185"
                           z3="8.53326"
                           zFract="0.3840351"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32512"
                           xFract="0.7494218"
                           y3="6.36079"
                           yFract="0.7536481"
                           z3="6.39522"
                           zFract="0.28781368"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00055"
                           xFract="-0.00006517"
                           y3="6.3249"
                           yFract="0.74939573"
                           z3="4.2250"
                           zFract="0.19014401"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21265"
                           xFract="0.49912915"
                           y3="2.09665"
                           yFract="0.24841825"
                           z3="4.22936"
                           zFract="0.19034023"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.34086"
                           xFract="0.75128673"
                           y3="4.23676"
                           yFract="0.50198578"
                           z3="4.22907"
                           zFract="0.19032718"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.00549"
                           xFract="0.00065047"
                           y3="2.1034"
                           yFract="0.24921801"
                           z3="8.45801"
                           zFract="0.38064851"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.31962"
                           xFract="0.74877014"
                           y3="-0.00728"
                           yFract="-0.00086256"
                           z3="4.23121"
                           zFract="0.19042349"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.00288"
                           xFract="-0.00034123"
                           y3="6.32937"
                           yFract="0.74992536"
                           z3="8.47786"
                           zFract="0.38154185"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <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="0.0175"
                           xFract="0.00207346"
                           y3="2.0881"
                           yFract="0.24740521"
                           z3="6.31914"
                           zFract="0.28438974"/>
                     <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="2.10352"
                           xFract="0.24923223"
                           y3="-0.0059"
                           yFract="-0.00069905"
                           z3="6.28615"
                           zFract="0.28290504"/>
                     <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="0.00815"
                           xFract="0.00096564"
                           y3="0.02362"
                           yFract="0.00279858"
                           z3="4.26276"
                           zFract="0.19184338"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.0125"
                           xFract="0.00148104"
                           y3="-0.01342"
                           yFract="-0.00159005"
                           z3="8.50456"
                           zFract="0.38274347"/>
                     <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="2.09046"
                           xFract="0.24768483"
                           y3="2.17289"
                           yFract="0.25745142"
                           z3="4.23071"
                           zFract="0.19040099"/>
                     <atom elementType="O"
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                     <bond atomRefs2="a20 a68" order="S"/>
                     <bond atomRefs2="a20 a65" order="S"/>
                     <bond atomRefs2="a21 a71" order="S"/>
                     <bond atomRefs2="a21 a78" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a56" order="S"/>
                     <bond atomRefs2="a23 a54" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a61" order="S"/>
                     <bond atomRefs2="a24 a68" order="S"/>
                     <bond atomRefs2="a24 a63" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a46" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a53" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a27 a66" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a31 a43" order="S"/>
                     <bond atomRefs2="a31 a45" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a45" order="S"/>
                     <bond atomRefs2="a32 a41" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a35 a79" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a38 a54" order="S"/>
                     <bond atomRefs2="a38 a56" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a59" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a45" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a65" 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="6.34107"
                           xFract="0.75131161"
                           y3="2.09754"
                           yFract="0.2485237"
                           z3="6.34964"
                           zFract="0.28576238"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.13693"
                           xFract="0.25319076"
                           y3="4.21437"
                           yFract="0.49933294"
                           z3="8.44305"
                           zFract="0.37997525"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.10807"
                           xFract="0.24977133"
                           y3="6.32668"
                           yFract="0.74960664"
                           z3="6.34992"
                           zFract="0.28577498"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.20624"
                           xFract="0.49836967"
                           y3="2.10154"
                           yFract="0.24899763"
                           z3="8.41225"
                           zFract="0.37858911"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.21774"
                           xFract="0.49973223"
                           y3="6.3410"
                           yFract="0.75130332"
                           z3="8.38687"
                           zFract="0.37744689"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.30278"
                           xFract="0.74677488"
                           y3="4.21181"
                           yFract="0.49902962"
                           z3="8.43687"
                           zFract="0.37969712"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.01271"
                           xFract="0.00150592"
                           y3="4.21385"
                           yFract="0.49927133"
                           z3="6.38782"
                           zFract="0.28748065"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.20134"
                           xFract="0.4977891"
                           y3="6.35347"
                           yFract="0.75278081"
                           z3="4.21662"
                           zFract="0.18976688"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.0051"
                           xFract="-0.00060427"
                           y3="-0.01513"
                           yFract="-0.00179265"
                           z3="6.38764"
                           zFract="0.28747255"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12043"
                           xFract="0.25123578"
                           y3="2.0876"
                           yFract="0.24734597"
                           z3="6.36572"
                           zFract="0.28648605"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.22852"
                           xFract="0.50100948"
                           y3="4.22735"
                           yFract="0.50087085"
                           z3="6.36618"
                           zFract="0.28650675"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01808"
                           xFract="0.00214218"
                           y3="2.12163"
                           yFract="0.25137796"
                           z3="4.23661"
                           zFract="0.19066652"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.24648"
                           xFract="0.50313744"
                           y3="-0.00976"
                           yFract="-0.0011564"
                           z3="6.41827"
                           zFract="0.28885104"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.09939"
                           xFract="0.24874289"
                           y3="-0.00253"
                           yFract="-0.00029976"
                           z3="4.23694"
                           zFract="0.19068137"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11235"
                           xFract="0.25027844"
                           y3="4.2197"
                           yFract="0.49996445"
                           z3="4.26758"
                           zFract="0.19206031"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.3004"
                           xFract="0.74649289"
                           y3="0.00429"
                           yFract="0.00050829"
                           z3="8.61639"
                           zFract="0.38777633"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13577"
                           xFract="0.25305332"
                           y3="0.00013"
                           yFract="0.0000154"
                           z3="8.53347"
                           zFract="0.38404455"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32524"
                           xFract="0.74943602"
                           y3="6.36116"
                           yFract="0.75369194"
                           z3="6.39629"
                           zFract="0.28786184"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00101"
                           xFract="-0.00011967"
                           y3="6.3251"
                           yFract="0.74941943"
                           z3="4.22574"
                           zFract="0.19017732"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21278"
                           xFract="0.49914455"
                           y3="2.0968"
                           yFract="0.24843602"
                           z3="4.22902"
                           zFract="0.19032493"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.34099"
                           xFract="0.75130213"
                           y3="4.2370"
                           yFract="0.50201422"
                           z3="4.2286"
                           zFract="0.19030603"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.00598"
                           xFract="0.00070853"
                           y3="2.10325"
                           yFract="0.24920024"
                           z3="8.45845"
                           zFract="0.38066832"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.31991"
                           xFract="0.7488045"
                           y3="-0.00724"
                           yFract="-0.00085782"
                           z3="4.23213"
                           zFract="0.1904649"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.00258"
                           xFract="-0.00030569"
                           y3="6.32924"
                           yFract="0.74990995"
                           z3="8.47835"
                           zFract="0.38156391"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <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="0.01735"
                           xFract="0.00205569"
                           y3="2.08804"
                           yFract="0.2473981"
                           z3="6.32007"
                           zFract="0.28443159"/>
                     <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="2.10454"
                           xFract="0.24935308"
                           y3="-0.0056"
                           yFract="-0.00066351"
                           z3="6.28722"
                           zFract="0.2829532"/>
                     <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="0.00866"
                           xFract="0.00102607"
                           y3="0.02342"
                           yFract="0.00277488"
                           z3="4.2637"
                           zFract="0.19188569"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01292"
                           xFract="0.00153081"
                           y3="-0.01334"
                           yFract="-0.00158057"
                           z3="8.50594"
                           zFract="0.38280558"/>
                     <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="2.09051"
                           xFract="0.24769076"
                           y3="2.17354"
                           yFract="0.25752844"
                           z3="4.23069"
                           zFract="0.19040009"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13521"
                           xFract="0.25298697"
                           y3="2.21313"
                           yFract="0.26221919"
                           z3="8.44923"
                           zFract="0.38025338"/>
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                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.49987085"
                           y3="2.17749"
                           yFract="0.25799645"
                           z3="6.36964"
                           zFract="0.28666247"/>
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                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.75151303"
                           y3="0.09848"
                           yFract="0.01166825"
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                           zFract="0.28296535"/>
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                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
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                           xFract="0.49752725"
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                           xFract="0.49828199"
                           y3="-0.00135"
                           yFract="-0.00015995"
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                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.75425118"
                           y3="2.12805"
                           yFract="0.25213863"
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                           zFract="0.18984563"/>
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                           id="a60"
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                           xFract="0.74641114"
                           y3="2.14852"
                           yFract="0.25456398"
                           z3="8.40044"
                           zFract="0.37805761"/>
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                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
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                           x3="0.13909"
                           xFract="0.01647986"
                           y3="6.32901"
                           yFract="0.7498827"
                           z3="6.35543"
                           zFract="0.28602295"/>
                     <atom elementType="O"
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.09921"
                           xFract="0.24872156"
                           y3="4.20735"
                           yFract="0.49850118"
                           z3="6.42586"
                           zFract="0.28919262"/>
                     <atom elementType="O"
                           id="a65"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           x3="0.01694"
                           xFract="0.00200711"
                           y3="4.20058"
                           yFract="0.49769905"
                           z3="4.27925"
                           zFract="0.19258551"/>
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                           id="a67"
                           x3="-0.02237"
                           xFract="-0.00265047"
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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>
                  </property>
               </molecule>
               <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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                           xFract="0.75132109"
                           y3="2.09759"
                           yFract="0.24852962"
                           z3="6.35013"
                           zFract="0.28578443"/>
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                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.25311493"
                           y3="4.21437"
                           yFract="0.49933294"
                           z3="8.44403"
                           zFract="0.38001935"/>
                     <atom elementType="Ni"
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                           x3="2.10582"
                           xFract="0.24950474"
                           y3="6.3265"
                           yFract="0.74958531"
                           z3="6.35088"
                           zFract="0.28581818"/>
                     <atom elementType="Ni"
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                           x3="4.20578"
                           xFract="0.49831517"
                           y3="2.10142"
                           yFract="0.24898341"
                           z3="8.41317"
                           zFract="0.37863051"/>
                     <atom elementType="Ni"
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                           x3="4.21714"
                           xFract="0.49966114"
                           y3="6.3410"
                           yFract="0.75130332"
                           z3="8.3878"
                           zFract="0.37748875"/>
                     <atom elementType="Ni"
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                           x3="6.3035"
                           xFract="0.74686019"
                           y3="4.21144"
                           yFract="0.49898578"
                           z3="8.43673"
                           zFract="0.37969082"/>
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.0015391"
                           y3="4.21376"
                           yFract="0.49926066"
                           z3="6.38829"
                           zFract="0.2875018"/>
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                           x3="4.20126"
                           xFract="0.49777962"
                           y3="6.35289"
                           yFract="0.75271209"
                           z3="4.21708"
                           zFract="0.18978758"/>
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                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
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                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
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                           y3="-0.01503"
                           yFract="-0.00178081"
                           z3="6.38834"
                           zFract="0.28750405"/>
                     <atom elementType="Mg"
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                           x3="2.12053"
                           xFract="0.25124763"
                           y3="2.0876"
                           yFract="0.24734597"
                           z3="6.36671"
                           zFract="0.2865306"/>
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                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.22844"
                           xFract="0.5010"
                           y3="4.22712"
                           yFract="0.5008436"
                           z3="6.36709"
                           zFract="0.2865477"/>
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                           id="a18"
                           x3="0.01765"
                           xFract="0.00209123"
                           y3="2.12115"
                           yFract="0.25132109"
                           z3="4.23721"
                           zFract="0.19069352"/>
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                           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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.50318602"
                           y3="-0.00995"
                           yFract="-0.00117891"
                           z3="6.41968"
                           zFract="0.28891449"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.24869431"
                           y3="-0.0027"
                           yFract="-0.00031991"
                           z3="4.23836"
                           zFract="0.19074527"/>
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                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11206"
                           xFract="0.25024408"
                           y3="4.21954"
                           yFract="0.4999455"
                           z3="4.26717"
                           zFract="0.19204185"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.30081"
                           xFract="0.74654147"
                           y3="0.00455"
                           yFract="0.0005391"
                           z3="8.6171"
                           zFract="0.38780828"/>
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                           x3="2.13531"
                           xFract="0.25299882"
                           y3="0.00016"
                           yFract="0.00001896"
                           z3="8.53374"
                           zFract="0.38405671"/>
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                           x3="6.32541"
                           xFract="0.74945616"
                           y3="6.36166"
                           yFract="0.75375118"
                           z3="6.39771"
                           zFract="0.28792574"/>
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                     <bond atomRefs2="a31 a45" order="S"/>
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                     <bond atomRefs2="a32 a45" order="S"/>
                     <bond atomRefs2="a32 a41" order="S"/>
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                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
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                     <bond atomRefs2="a34 a52" order="S"/>
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                     <bond atomRefs2="a35 a79" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a38 a54" order="S"/>
                     <bond atomRefs2="a38 a56" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a59" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
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                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
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                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a65" 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.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="6.33864"
                           xFract="0.7510237"
                           y3="2.10153"
                           yFract="0.24899645"
                           z3="6.3587"
                           zFract="0.28617012"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.13671"
                           xFract="0.25316469"
                           y3="4.21343"
                           yFract="0.49922156"
                           z3="8.44751"
                           zFract="0.38017597"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11398"
                           xFract="0.25047156"
                           y3="6.32261"
                           yFract="0.74912441"
                           z3="6.35558"
                           zFract="0.2860297"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.20636"
                           xFract="0.49838389"
                           y3="2.09976"
                           yFract="0.24878673"
                           z3="8.42163"
                           zFract="0.37901125"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.21436"
                           xFract="0.49933175"
                           y3="6.34127"
                           yFract="0.75133531"
                           z3="8.39511"
                           zFract="0.37781773"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.30203"
                           xFract="0.74668602"
                           y3="4.20972"
                           yFract="0.49878199"
                           z3="8.43731"
                           zFract="0.37971692"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.01196"
                           xFract="0.00141706"
                           y3="4.21295"
                           yFract="0.49916469"
                           z3="6.3902"
                           zFract="0.28758776"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.20118"
                           xFract="0.49777014"
                           y3="6.35121"
                           yFract="0.75251303"
                           z3="4.21892"
                           zFract="0.18987039"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.00328"
                           xFract="-0.00038863"
                           y3="-0.01461"
                           yFract="-0.00173104"
                           z3="6.39475"
                           zFract="0.28779253"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12394"
                           xFract="0.25165166"
                           y3="2.09036"
                           yFract="0.24767299"
                           z3="6.37233"
                           zFract="0.28678353"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.22848"
                           xFract="0.50100474"
                           y3="4.22341"
                           yFract="0.50040403"
                           z3="6.37094"
                           zFract="0.28672097"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.0159"
                           xFract="0.00188389"
                           y3="2.11774"
                           yFract="0.25091706"
                           z3="4.23699"
                           zFract="0.19068362"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.24689"
                           xFract="0.50318602"
                           y3="-0.01144"
                           yFract="-0.00135545"
                           z3="6.42601"
                           zFract="0.28919937"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.09933"
                           xFract="0.24873578"
                           y3="-0.0044"
                           yFract="-0.00052133"
                           z3="4.24624"
                           zFract="0.19109991"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.11232"
                           xFract="0.25027488"
                           y3="4.21878"
                           yFract="0.49985545"
                           z3="4.26808"
                           zFract="0.19208281"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.30191"
                           xFract="0.7466718"
                           y3="0.00623"
                           yFract="0.00073815"
                           z3="8.61996"
                           zFract="0.38793699"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.1360"
                           xFract="0.25308057"
                           y3="-0.00021"
                           yFract="-0.00002488"
                           z3="8.54093"
                           zFract="0.38438029"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32425"
                           xFract="0.74931872"
                           y3="6.36289"
                           yFract="0.75389692"
                           z3="6.40279"
                           zFract="0.28815437"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00397"
                           xFract="-0.00047038"
                           y3="6.32852"
                           yFract="0.74982464"
                           z3="4.23134"
                           zFract="0.19042934"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21288"
                           xFract="0.4991564"
                           y3="2.09664"
                           yFract="0.24841706"
                           z3="4.22984"
                           zFract="0.19036184"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3393"
                           xFract="0.7511019"
                           y3="4.23965"
                           yFract="0.5023282"
                           z3="4.22989"
                           zFract="0.19036409"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.0082"
                           xFract="0.00097156"
                           y3="2.10165"
                           yFract="0.24901066"
                           z3="8.46803"
                           zFract="0.38109946"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32128"
                           xFract="0.74896682"
                           y3="-0.00705"
                           yFract="-0.00083531"
                           z3="4.23835"
                           zFract="0.19074482"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="-0.00002"
                           xFract="-0.00000237"
                           y3="6.3290"
                           yFract="0.74988152"
                           z3="8.48867"
                           zFract="0.38202835"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <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="0.01825"
                           xFract="0.00216232"
                           y3="2.08923"
                           yFract="0.2475391"
                           z3="6.33152"
                           zFract="0.28494689"/>
                     <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="2.10816"
                           xFract="0.24978199"
                           y3="-0.0044"
                           yFract="-0.00052133"
                           z3="6.29642"
                           zFract="0.28336724"/>
                     <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="0.01633"
                           xFract="0.00193483"
                           y3="0.02115"
                           yFract="0.00250592"
                           z3="4.27396"
                           zFract="0.19234743"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.01661"
                           xFract="0.00196801"
                           y3="-0.01152"
                           yFract="-0.00136493"
                           z3="8.51212"
                           zFract="0.38308371"/>
                     <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="2.09374"
                           xFract="0.24807346"
                           y3="2.17456"
                           yFract="0.25764929"
                           z3="4.23139"
                           zFract="0.19043159"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13302"
                           xFract="0.25272749"
                           y3="2.20757"
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                     <bond atomRefs2="a21 a78" order="S"/>
                     <bond atomRefs2="a21 a75" order="S"/>
                     <bond atomRefs2="a21 a68" order="S"/>
                     <bond atomRefs2="a22 a71" order="S"/>
                     <bond atomRefs2="a22 a78" order="S"/>
                     <bond atomRefs2="a22 a73" order="S"/>
                     <bond atomRefs2="a23 a57" order="S"/>
                     <bond atomRefs2="a23 a54" order="S"/>
                     <bond atomRefs2="a23 a44" order="S"/>
                     <bond atomRefs2="a24 a61" order="S"/>
                     <bond atomRefs2="a24 a68" order="S"/>
                     <bond atomRefs2="a24 a63" order="S"/>
                     <bond atomRefs2="a24 a71" order="S"/>
                     <bond atomRefs2="a25 a44" order="S"/>
                     <bond atomRefs2="a25 a46" order="S"/>
                     <bond atomRefs2="a25 a49" order="S"/>
                     <bond atomRefs2="a25 a43" order="S"/>
                     <bond atomRefs2="a25 a56" order="S"/>
                     <bond atomRefs2="a26 a55" order="S"/>
                     <bond atomRefs2="a26 a51" order="S"/>
                     <bond atomRefs2="a26 a53" order="S"/>
                     <bond atomRefs2="a26 a56" order="S"/>
                     <bond atomRefs2="a26 a43" order="S"/>
                     <bond atomRefs2="a27 a66" order="S"/>
                     <bond atomRefs2="a27 a64" order="S"/>
                     <bond atomRefs2="a27 a69" order="S"/>
                     <bond atomRefs2="a27 a63" order="S"/>
                     <bond atomRefs2="a27 a49" order="S"/>
                     <bond atomRefs2="a27 a76" order="S"/>
                     <bond atomRefs2="a28 a60" order="S"/>
                     <bond atomRefs2="a28 a57" order="S"/>
                     <bond atomRefs2="a29 a47" order="S"/>
                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a31 a43" order="S"/>
                     <bond atomRefs2="a31 a45" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a45" order="S"/>
                     <bond atomRefs2="a32 a41" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a35 a79" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a38 a54" order="S"/>
                     <bond atomRefs2="a38 a56" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a59" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a45" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a65" 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="6.34312"
                           xFract="0.7515545"
                           y3="2.09644"
                           yFract="0.24839336"
                           z3="6.37038"
                           zFract="0.28669577"/>
                     <atom elementType="Ni"
                           id="a2"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a3"
                           x3="2.13726"
                           xFract="0.25322986"
                           y3="4.20907"
                           yFract="0.49870498"
                           z3="8.45583"
                           zFract="0.38055041"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11066"
                           xFract="0.2500782"
                           y3="6.31956"
                           yFract="0.74876303"
                           z3="6.36422"
                           zFract="0.28641854"/>
                     <atom elementType="Ni"
                           id="a5"
                           x3="4.2087"
                           xFract="0.49866114"
                           y3="2.09446"
                           yFract="0.24815877"
                           z3="8.43342"
                           zFract="0.37954185"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.21493"
                           xFract="0.49939929"
                           y3="6.34235"
                           yFract="0.75146327"
                           z3="8.40865"
                           zFract="0.37842709"/>
                     <atom elementType="Ni"
                           id="a7"
                           x3="6.29956"
                           xFract="0.74639336"
                           y3="4.21247"
                           yFract="0.49910782"
                           z3="8.44736"
                           zFract="0.38016922"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
                           id="a9"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.00905"
                           xFract="0.00107227"
                           y3="4.21317"
                           yFract="0.49919076"
                           z3="6.39799"
                           zFract="0.28793834"/>
                     <atom elementType="Mg"
                           id="a11"
                           x3="4.20009"
                           xFract="0.497641"
                           y3="6.35499"
                           yFract="0.7529609"
                           z3="4.21999"
                           zFract="0.18991854"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.00313"
                           xFract="-0.00037085"
                           y3="-0.01536"
                           yFract="-0.00181991"
                           z3="6.40825"
                           zFract="0.28840009"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.12503"
                           xFract="0.25178081"
                           y3="2.09071"
                           yFract="0.24771445"
                           z3="6.38021"
                           zFract="0.28713816"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.23074"
                           xFract="0.50127251"
                           y3="4.22097"
                           yFract="0.50011493"
                           z3="6.37475"
                           zFract="0.28689244"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01761"
                           xFract="0.00208649"
                           y3="2.11904"
                           yFract="0.25107109"
                           z3="4.24214"
                           zFract="0.19091539"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.24514"
                           xFract="0.50297867"
                           y3="-0.01113"
                           yFract="-0.00131872"
                           z3="6.43024"
                           zFract="0.28938974"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a25"
                           x3="2.10436"
                           xFract="0.24933175"
                           y3="-0.00622"
                           yFract="-0.00073697"
                           z3="4.25138"
                           zFract="0.19133123"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.10994"
                           xFract="0.24999289"
                           y3="4.21725"
                           yFract="0.49967417"
                           z3="4.27417"
                           zFract="0.19235689"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.30225"
                           xFract="0.74671209"
                           y3="0.00604"
                           yFract="0.00071564"
                           z3="8.62478"
                           zFract="0.38815392"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.13975"
                           xFract="0.25352488"
                           y3="-0.00076"
                           yFract="-0.00009005"
                           z3="8.55589"
                           zFract="0.38505356"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32434"
                           xFract="0.74932938"
                           y3="6.36288"
                           yFract="0.75389573"
                           z3="6.41812"
                           zFract="0.28884428"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a33"
                           x3="-0.00302"
                           xFract="-0.00035782"
                           y3="6.3291"
                           yFract="0.74989336"
                           z3="4.23665"
                           zFract="0.19066832"/>
                     <atom elementType="Zn"
                           id="a34"
                           x3="4.21256"
                           xFract="0.49911848"
                           y3="2.09318"
                           yFract="0.24800711"
                           z3="4.23431"
                           zFract="0.19056301"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.3379"
                           xFract="0.75093602"
                           y3="4.23919"
                           yFract="0.5022737"
                           z3="4.23742"
                           zFract="0.19070297"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.00782"
                           xFract="0.00092654"
                           y3="2.10213"
                           yFract="0.24906754"
                           z3="8.48374"
                           zFract="0.38180648"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.31841"
                           xFract="0.74862678"
                           y3="-0.00573"
                           yFract="-0.00067891"
                           z3="4.24612"
                           zFract="0.19109451"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.00032"
                           xFract="0.00003791"
                           y3="6.32784"
                           yFract="0.74974408"
                           z3="8.50159"
                           zFract="0.38260981"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <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="0.01991"
                           xFract="0.002359"
                           y3="2.09154"
                           yFract="0.2478128"
                           z3="6.33488"
                           zFract="0.28509811"/>
                     <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="2.10604"
                           xFract="0.24953081"
                           y3="-0.00743"
                           yFract="-0.00088033"
                           z3="6.30539"
                           zFract="0.28377093"/>
                     <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="0.02031"
                           xFract="0.0024064"
                           y3="0.02317"
                           yFract="0.00274526"
                           z3="4.28027"
                           zFract="0.19263141"/>
                     <atom elementType="O"
                           id="a47"
                           x3="0.02132"
                           xFract="0.00252607"
                           y3="-0.01291"
                           yFract="-0.00152962"
                           z3="8.51261"
                           zFract="0.38310576"/>
                     <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="2.09394"
                           xFract="0.24809716"
                           y3="2.17172"
                           yFract="0.2573128"
                           z3="4.23616"
                           zFract="0.19064626"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13587"
                           xFract="0.25306517"
                           y3="2.20426"
                           yFract="0.26116825"
                           z3="8.46704"
                           zFract="0.38105491"/>
                     <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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                           xFract="0.50077251"
                           y3="2.16834"
                           yFract="0.25691232"
                           z3="6.38463"
                           zFract="0.28733708"/>
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                           id="a53"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.75190403"
                           y3="0.10624"
                           yFract="0.01258768"
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                           zFract="0.28384743"/>
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                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
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                           xFract="0.49661256"
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                           zFract="0.19080873"/>
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                           xFract="0.49796919"
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                           yFract="-0.00035427"
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                           zFract="0.38510576"/>
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                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
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                           zFract="0.0000"/>
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                           xFract="0.75324645"
                           y3="2.12164"
                           yFract="0.25137915"
                           z3="4.22172"
                           zFract="0.1899964"/>
                     <atom elementType="O"
                           id="a60"
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                           xFract="0.74677725"
                           y3="2.13698"
                           yFract="0.25319668"
                           z3="8.42063"
                           zFract="0.37896625"/>
                     <atom elementType="O"
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                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           x3="0.14517"
                           xFract="0.01720024"
                           y3="6.32212"
                           yFract="0.74906635"
                           z3="6.3686"
                           zFract="0.28661566"/>
                     <atom elementType="O"
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a64"
                           x3="2.10043"
                           xFract="0.24886611"
                           y3="4.21175"
                           yFract="0.49902251"
                           z3="6.44078"
                           zFract="0.28986409"/>
                     <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="0.00308"
                           xFract="0.00036493"
                           y3="4.20035"
                           yFract="0.4976718"
                           z3="4.28679"
                           zFract="0.19292484"/>
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                           xFract="-0.00268009"
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                           yFract="0.50024645"
                           z3="8.51767"
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                     <atom elementType="O"
                           id="a68"
                           x3="2.1100"
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                     <bond atomRefs2="a32 a45" order="S"/>
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                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
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                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
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                     <bond atomRefs2="a36 a65" order="S"/>
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                     <bond atomRefs2="a37 a67" 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.19">
                  <crystal>
                     <scalar id="sc1" title="a" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc2" title="b" units="nonsi:angstrom">8.44</scalar>
                     <scalar id="sc3" title="c" units="nonsi:angstrom">22.22</scalar>
                     <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                     <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
                  </crystal>
                  <atomArray>
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                           x3="6.34555"
                           xFract="0.75184242"
                           y3="2.09907"
                           yFract="0.24870498"
                           z3="6.37266"
                           zFract="0.28679838"/>
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                           x3="6.3300"
                           xFract="0.7500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
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                           x3="2.13848"
                           xFract="0.25337441"
                           y3="4.20876"
                           yFract="0.49866825"
                           z3="8.4625"
                           zFract="0.38085059"/>
                     <atom elementType="Ni"
                           id="a4"
                           x3="2.11112"
                           xFract="0.2501327"
                           y3="6.32085"
                           yFract="0.74891588"
                           z3="6.36964"
                           zFract="0.28666247"/>
                     <atom elementType="Ni"
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                           x3="4.21083"
                           xFract="0.49891351"
                           y3="2.09228"
                           yFract="0.24790047"
                           z3="8.4393"
                           zFract="0.37980648"/>
                     <atom elementType="Ni"
                           id="a6"
                           x3="4.21364"
                           xFract="0.49924645"
                           y3="6.34209"
                           yFract="0.75143246"
                           z3="8.41358"
                           zFract="0.37864896"/>
                     <atom elementType="Ni"
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                           x3="6.29878"
                           xFract="0.74630095"
                           y3="4.21433"
                           yFract="0.4993282"
                           z3="8.45434"
                           zFract="0.38048335"/>
                     <atom elementType="Ni"
                           id="a8"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Ni"
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Ni"
                           id="a10"
                           x3="0.00944"
                           xFract="0.00111848"
                           y3="4.21217"
                           yFract="0.49907227"
                           z3="6.40255"
                           zFract="0.28814356"/>
                     <atom elementType="Mg"
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                           x3="4.20045"
                           xFract="0.49768365"
                           y3="6.35301"
                           yFract="0.7527263"
                           z3="4.22234"
                           zFract="0.1900243"/>
                     <atom elementType="Mg"
                           id="a12"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Mg"
                           id="a13"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a14"
                           x3="-0.00076"
                           xFract="-0.00009005"
                           y3="-0.0160"
                           yFract="-0.00189573"
                           z3="6.4111"
                           zFract="0.28852835"/>
                     <atom elementType="Mg"
                           id="a15"
                           x3="2.1233"
                           xFract="0.25157583"
                           y3="2.08918"
                           yFract="0.24753318"
                           z3="6.38524"
                           zFract="0.28736454"/>
                     <atom elementType="Mg"
                           id="a16"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Mg"
                           id="a17"
                           x3="4.23273"
                           xFract="0.50150829"
                           y3="4.22212"
                           yFract="0.50025118"
                           z3="6.37841"
                           zFract="0.28705716"/>
                     <atom elementType="Mg"
                           id="a18"
                           x3="0.01702"
                           xFract="0.00201659"
                           y3="2.11892"
                           yFract="0.25105687"
                           z3="4.24587"
                           zFract="0.19108326"/>
                     <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="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a21"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Cu"
                           id="a22"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a23"
                           x3="4.2427"
                           xFract="0.50268957"
                           y3="-0.01264"
                           yFract="-0.00149763"
                           z3="6.43378"
                           zFract="0.28954905"/>
                     <atom elementType="Cu"
                           id="a24"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a25"
                           x3="2.10229"
                           xFract="0.24908649"
                           y3="-0.00664"
                           yFract="-0.00078673"
                           z3="4.25396"
                           zFract="0.19144734"/>
                     <atom elementType="Cu"
                           id="a26"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Cu"
                           id="a27"
                           x3="2.10938"
                           xFract="0.24992654"
                           y3="4.21722"
                           yFract="0.49967062"
                           z3="4.27875"
                           zFract="0.19256301"/>
                     <atom elementType="Cu"
                           id="a28"
                           x3="6.30173"
                           xFract="0.74665047"
                           y3="0.0050"
                           yFract="0.00059242"
                           z3="8.63088"
                           zFract="0.38842844"/>
                     <atom elementType="Cu"
                           id="a29"
                           x3="2.14152"
                           xFract="0.2537346"
                           y3="-0.00216"
                           yFract="-0.00025592"
                           z3="8.56513"
                           zFract="0.3854694"/>
                     <atom elementType="Cu"
                           id="a30"
                           x3="6.32409"
                           xFract="0.74929976"
                           y3="6.36269"
                           yFract="0.75387322"
                           z3="6.41861"
                           zFract="0.28886634"/>
                     <atom elementType="Zn"
                           id="a31"
                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
                     <atom elementType="Zn"
                           id="a32"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a33"
                           x3="-0.00175"
                           xFract="-0.00020735"
                           y3="6.32933"
                           yFract="0.74992062"
                           z3="4.23865"
                           zFract="0.19075833"/>
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                           id="a34"
                           x3="4.21245"
                           xFract="0.49910545"
                           y3="2.09397"
                           yFract="0.24810071"
                           z3="4.23723"
                           zFract="0.19069442"/>
                     <atom elementType="Zn"
                           id="a35"
                           x3="6.33711"
                           xFract="0.75084242"
                           y3="4.23729"
                           yFract="0.50204858"
                           z3="4.24147"
                           zFract="0.19088524"/>
                     <atom elementType="Zn"
                           id="a36"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="Zn"
                           id="a37"
                           x3="0.00792"
                           xFract="0.00093839"
                           y3="2.1029"
                           yFract="0.24915877"
                           z3="8.49035"
                           zFract="0.38210396"/>
                     <atom elementType="Zn"
                           id="a38"
                           x3="6.32006"
                           xFract="0.74882227"
                           y3="-0.00604"
                           yFract="-0.00071564"
                           z3="4.24795"
                           zFract="0.19117687"/>
                     <atom elementType="Zn"
                           id="a39"
                           x3="0.00086"
                           xFract="0.0001019"
                           y3="6.3265"
                           yFract="0.74958531"
                           z3="8.50883"
                           zFract="0.38293564"/>
                     <atom elementType="Zn"
                           id="a40"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a41"
                           x3="0.0000"
                           xFract="0.0000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           x3="0.01988"
                           xFract="0.00235545"
                           y3="2.09163"
                           yFract="0.24782346"
                           z3="6.33947"
                           zFract="0.28530468"/>
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                           x3="2.1100"
                           xFract="0.2500"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a44"
                           x3="2.10655"
                           xFract="0.24959123"
                           y3="-0.01066"
                           yFract="-0.00126303"
                           z3="6.30905"
                           zFract="0.28393564"/>
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                           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="0.0197"
                           xFract="0.00233412"
                           y3="0.02265"
                           yFract="0.00268365"
                           z3="4.28124"
                           zFract="0.19267507"/>
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                           id="a47"
                           x3="0.02435"
                           xFract="0.00288507"
                           y3="-0.01295"
                           yFract="-0.00153436"
                           z3="8.51796"
                           zFract="0.38334653"/>
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                           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="2.09474"
                           xFract="0.24819194"
                           y3="2.17024"
                           yFract="0.25713744"
                           z3="4.24105"
                           zFract="0.19086634"/>
                     <atom elementType="O"
                           id="a50"
                           x3="2.13724"
                           xFract="0.25322749"
                           y3="2.20382"
                           yFract="0.26111611"
                           z3="8.47072"
                           zFract="0.38122052"/>
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                           id="a51"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a52"
                           x3="4.22532"
                           xFract="0.50063033"
                           y3="2.16512"
                           yFract="0.25653081"
                           z3="6.39172"
                           zFract="0.28765617"/>
                     <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="6.34548"
                           xFract="0.75183412"
                           y3="0.10426"
                           yFract="0.01235308"
                           z3="6.30796"
                           zFract="0.28388659"/>
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                           id="a55"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="0.0000"
                           yFract="0.0000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a56"
                           x3="4.19214"
                           xFract="0.49669905"
                           y3="-0.01644"
                           yFract="-0.00194787"
                           z3="4.23863"
                           zFract="0.19075743"/>
                     <atom elementType="O"
                           id="a57"
                           x3="4.20074"
                           xFract="0.49771801"
                           y3="-0.00426"
                           yFract="-0.00050474"
                           z3="8.56598"
                           zFract="0.38550765"/>
                     <atom elementType="O"
                           id="a58"
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                           xFract="0.7500"
                           y3="2.1100"
                           yFract="0.2500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.75325355"
                           y3="2.12007"
                           yFract="0.25119313"
                           z3="4.22397"
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                           xFract="0.74687204"
                           y3="2.13713"
                           yFract="0.25321445"
                           z3="8.42879"
                           zFract="0.37933348"/>
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                           x3="0.0000"
                           xFract="0.0000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a62"
                           x3="0.14158"
                           xFract="0.01677488"
                           y3="6.32123"
                           yFract="0.7489609"
                           z3="6.37374"
                           zFract="0.28684698"/>
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                           id="a63"
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                           xFract="0.2500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           xFract="0.24902133"
                           y3="4.21434"
                           yFract="0.49932938"
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                           zFract="0.29005356"/>
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                           xFract="0.0000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           yFract="0.49762204"
                           z3="4.28735"
                           zFract="0.19295005"/>
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                           id="a67"
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                           xFract="-0.00260664"
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                           yFract="0.500141"
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                           zFract="0.38348515"/>
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                           xFract="0.2500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           xFract="0.25217299"
                           y3="6.2607"
                           yFract="0.7417891"
                           z3="4.3157"
                           zFract="0.19422592"/>
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                           y3="6.22362"
                           yFract="0.73739573"
                           z3="8.39956"
                           zFract="0.378018"/>
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                           id="a71"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="2.10979"
                           zFract="0.09495005"/>
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                           id="a72"
                           x3="4.06788"
                           xFract="0.4819763"
                           y3="6.27857"
                           yFract="0.7439064"
                           z3="6.35809"
                           zFract="0.28614266"/>
                     <atom elementType="O"
                           id="a73"
                           x3="6.3300"
                           xFract="0.7500"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="2.10979"
                           zFract="0.09495005"/>
                     <atom elementType="O"
                           id="a74"
                           x3="6.35422"
                           xFract="0.75286967"
                           y3="4.11129"
                           yFract="0.48711967"
                           z3="6.40918"
                           zFract="0.28844194"/>
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                           id="a75"
                           x3="4.2200"
                           xFract="0.5000"
                           y3="4.2200"
                           yFract="0.5000"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a76"
                           x3="4.22419"
                           xFract="0.50049645"
                           y3="4.24685"
                           yFract="0.50318128"
                           z3="4.25474"
                           zFract="0.19148245"/>
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                           id="a77"
                           x3="4.25156"
                           xFract="0.50373934"
                           y3="4.22835"
                           yFract="0.50098934"
                           z3="8.49273"
                           zFract="0.38221107"/>
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                           id="a78"
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                           xFract="0.7500"
                           y3="6.3300"
                           yFract="0.7500"
                           z3="0.0000"
                           zFract="0.0000"/>
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                           id="a79"
                           x3="6.29477"
                           xFract="0.74582583"
                           y3="6.32771"
                           yFract="0.74972867"
                           z3="4.40916"
                           zFract="0.19843204"/>
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                           id="a80"
                           x3="6.30062"
                           xFract="0.74651896"
                           y3="6.29548"
                           yFract="0.74590995"
                           z3="8.43007"
                           zFract="0.37939109"/>
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                     <bond atomRefs2="a16 a76" order="S"/>
                     <bond atomRefs2="a16 a19" order="S"/>
                     <bond atomRefs2="a16 a51" order="S"/>
                     <bond atomRefs2="a16 a63" order="S"/>
                     <bond atomRefs2="a17 a72" order="S"/>
                     <bond atomRefs2="a17 a52" order="S"/>
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                     <bond atomRefs2="a17 a77" order="S"/>
                     <bond atomRefs2="a17 a74" order="S"/>
                     <bond atomRefs2="a17 a64" order="S"/>
                     <bond atomRefs2="a18 a66" order="S"/>
                     <bond atomRefs2="a18 a49" order="S"/>
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                     <bond atomRefs2="a19 a55" order="S"/>
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                     <bond atomRefs2="a20 a61" order="S"/>
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                     <bond atomRefs2="a28 a60" order="S"/>
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                     <bond atomRefs2="a29 a57" order="S"/>
                     <bond atomRefs2="a30 a79" order="S"/>
                     <bond atomRefs2="a30 a80" order="S"/>
                     <bond atomRefs2="a31 a48" order="S"/>
                     <bond atomRefs2="a31 a43" order="S"/>
                     <bond atomRefs2="a31 a45" order="S"/>
                     <bond atomRefs2="a31 a55" order="S"/>
                     <bond atomRefs2="a32 a45" order="S"/>
                     <bond atomRefs2="a32 a41" order="S"/>
                     <bond atomRefs2="a32 a43" order="S"/>
                     <bond atomRefs2="a32 a46" order="S"/>
                     <bond atomRefs2="a33 a66" order="S"/>
                     <bond atomRefs2="a33 a61" order="S"/>
                     <bond atomRefs2="a33 a62" order="S"/>
                     <bond atomRefs2="a33 a69" order="S"/>
                     <bond atomRefs2="a34 a52" order="S"/>
                     <bond atomRefs2="a34 a56" order="S"/>
                     <bond atomRefs2="a34 a51" order="S"/>
                     <bond atomRefs2="a34 a59" order="S"/>
                     <bond atomRefs2="a34 a76" order="S"/>
                     <bond atomRefs2="a34 a49" order="S"/>
                     <bond atomRefs2="a35 a79" order="S"/>
                     <bond atomRefs2="a35 a74" order="S"/>
                     <bond atomRefs2="a35 a76" order="S"/>
                     <bond atomRefs2="a35 a73" order="S"/>
                     <bond atomRefs2="a35 a59" order="S"/>
                     <bond atomRefs2="a36 a66" order="S"/>
                     <bond atomRefs2="a36 a61" order="S"/>
                     <bond atomRefs2="a36 a63" order="S"/>
                     <bond atomRefs2="a36 a65" order="S"/>
                     <bond atomRefs2="a36 a41" order="S"/>
                     <bond atomRefs2="a37 a47" order="S"/>
                     <bond atomRefs2="a37 a42" order="S"/>
                     <bond atomRefs2="a37 a50" order="S"/>
                     <bond atomRefs2="a37 a67" order="S"/>
                     <bond atomRefs2="a38 a54" order="S"/>
                     <bond atomRefs2="a38 a56" order="S"/>
                     <bond atomRefs2="a38 a53" order="S"/>
                     <bond atomRefs2="a38 a59" order="S"/>
                     <bond atomRefs2="a39 a62" order="S"/>
                     <bond atomRefs2="a39 a67" order="S"/>
                     <bond atomRefs2="a39 a70" order="S"/>
                     <bond atomRefs2="a40 a41" order="S"/>
                     <bond atomRefs2="a40 a45" order="S"/>
                     <bond atomRefs2="a40 a48" order="S"/>
                     <bond atomRefs2="a40 a65" 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">-0.002 0.007 0.010 -0.001 0.010 0.010 0.012 -0.001 0.004 -0.001 0.000 0.004 0.002 0.001 0.004 0.000 0.001 -0.001 0.000 0.001 -0.005 -0.000 -0.004 0.004 -0.004 -0.003 -0.000 0.009 0.001 0.001 0.015 -0.001 -0.001 -0.000 0.004 0.001 0.005 -0.000 0.004 -0.003 0.004 0.009 0.005 0.009 0.005 0.003 0.001 0.009 0.006 0.006 0.007 0.012 0.005 0.005 0.011 0.004 0.012 0.004 0.004 0.011 -0.001 0.006 0.005 0.014 0.004 0.008 0.013 0.006 0.004 0.009 0.001 0.009 -0.002 0.012 0.008 0.004 0.017 0.007 0.000 0.006</array>
                     <array dataType="xsd:double" dictRef="v:coeffp" size="80">-0.004 0.008 0.015 -0.004 0.016 0.016 0.016 -0.004 0.010 -0.003 0.001 0.005 0.001 0.004 0.006 0.002 0.003 -0.001 0.002 0.002 -0.004 -0.000 -0.004 0.004 0.000 -0.004 0.005 0.004 0.004 0.004 0.014 0.002 -0.001 0.001 0.008 0.002 0.006 0.008 0.006 -0.001 0.055 0.119 0.075 0.201 0.064 0.080 0.009 0.119 0.123 0.058 0.105 0.181 0.099 0.059 0.188 0.183 0.165 0.054 0.063 0.127 -0.061 0.045 0.102 0.206 0.055 0.121 0.144 0.060 0.057 0.097 -0.023 0.125 -0.030 0.155 0.124 0.076 0.173 0.109 -0.037 0.027</array>
                     <array dataType="xsd:double" dictRef="v:coeffd" size="80">1.195 1.484 1.130 0.947 1.482 1.488 1.291 1.345 1.433 1.538 0.001 0.002 0.000 0.002 0.002 0.001 0.001 -0.000 0.001 0.001 0.558 -0.440 0.539 -0.418 0.473 0.604 0.384 -0.116 0.013 -0.313 0.011 0.012 0.000 0.007 0.021 0.006 0.006 0.024 0.006 0.002 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">1.190 1.500 1.155 0.942 1.508 1.513 1.320 1.340 1.448 1.535 0.002 0.011 0.004 0.007 0.012 0.003 0.004 -0.002 0.003 0.004 0.549 -0.440 0.531 -0.410 0.470 0.597 0.388 -0.103 0.018 -0.308 0.040 0.013 -0.001 0.008 0.033 0.008 0.016 0.031 0.016 -0.002 0.059 0.128 0.080 0.210 0.069 0.083 0.010 0.128 0.129 0.064 0.112 0.194 0.105 0.064 0.199 0.187 0.176 0.059 0.067 0.138 -0.062 0.051 0.108 0.220 0.060 0.129 0.157 0.066 0.061 0.106 -0.022 0.135 -0.032 0.167 0.132 0.080 0.190 0.116 -0.037 0.033</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.345</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">3.802</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">14.722</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">18.869</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.32005410</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-422.31304108</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-422.31654759</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.4005</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3442981E-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="6.34555"
                        xFract="0.75184242"
                        y3="2.09907"
                        yFract="0.24870498"
                        z3="6.37266"
                        zFract="0.28679838"/>
                  <atom elementType="Ni"
                        id="a2"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a3"
                        x3="2.13848"
                        xFract="0.25337441"
                        y3="4.20876"
                        yFract="0.49866825"
                        z3="8.4625"
                        zFract="0.38085059"/>
                  <atom elementType="Ni"
                        id="a4"
                        x3="2.11112"
                        xFract="0.2501327"
                        y3="6.32085"
                        yFract="0.74891588"
                        z3="6.36964"
                        zFract="0.28666247"/>
                  <atom elementType="Ni"
                        id="a5"
                        x3="4.21083"
                        xFract="0.49891351"
                        y3="2.09228"
                        yFract="0.24790047"
                        z3="8.4393"
                        zFract="0.37980648"/>
                  <atom elementType="Ni"
                        id="a6"
                        x3="4.21364"
                        xFract="0.49924645"
                        y3="6.34209"
                        yFract="0.75143246"
                        z3="8.41358"
                        zFract="0.37864896"/>
                  <atom elementType="Ni"
                        id="a7"
                        x3="6.29878"
                        xFract="0.74630095"
                        y3="4.21433"
                        yFract="0.4993282"
                        z3="8.45434"
                        zFract="0.38048335"/>
                  <atom elementType="Ni"
                        id="a8"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Ni"
                        id="a9"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Ni"
                        id="a10"
                        x3="0.00944"
                        xFract="0.00111848"
                        y3="4.21217"
                        yFract="0.49907227"
                        z3="6.40255"
                        zFract="0.28814356"/>
                  <atom elementType="Mg"
                        id="a11"
                        x3="4.20045"
                        xFract="0.49768365"
                        y3="6.35301"
                        yFract="0.7527263"
                        z3="4.22234"
                        zFract="0.1900243"/>
                  <atom elementType="Mg"
                        id="a12"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Mg"
                        id="a13"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a14"
                        x3="-0.00076"
                        xFract="-0.00009005"
                        y3="-0.0160"
                        yFract="-0.00189573"
                        z3="6.4111"
                        zFract="0.28852835"/>
                  <atom elementType="Mg"
                        id="a15"
                        x3="2.1233"
                        xFract="0.25157583"
                        y3="2.08918"
                        yFract="0.24753318"
                        z3="6.38524"
                        zFract="0.28736454"/>
                  <atom elementType="Mg"
                        id="a16"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Mg"
                        id="a17"
                        x3="4.23273"
                        xFract="0.50150829"
                        y3="4.22212"
                        yFract="0.50025118"
                        z3="6.37841"
                        zFract="0.28705716"/>
                  <atom elementType="Mg"
                        id="a18"
                        x3="0.01702"
                        xFract="0.00201659"
                        y3="2.11892"
                        yFract="0.25105687"
                        z3="4.24587"
                        zFract="0.19108326"/>
                  <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="0.0000"
                        xFract="0.0000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.3300"
                        xFract="0.7500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="4.2427"
                        xFract="0.50268957"
                        y3="-0.01264"
                        yFract="-0.00149763"
                        z3="6.43378"
                        zFract="0.28954905"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="6.3300"
                        yFract="0.7500"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.10229"
                        xFract="0.24908649"
                        y3="-0.00664"
                        yFract="-0.00078673"
                        z3="4.25396"
                        zFract="0.19144734"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.2200"
                        xFract="0.5000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="2.10938"
                        xFract="0.24992654"
                        y3="4.21722"
                        yFract="0.49967062"
                        z3="4.27875"
                        zFract="0.19256301"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="6.30173"
                        xFract="0.74665047"
                        y3="0.0050"
                        yFract="0.00059242"
                        z3="8.63088"
                        zFract="0.38842844"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.14152"
                        xFract="0.2537346"
                        y3="-0.00216"
                        yFract="-0.00025592"
                        z3="8.56513"
                        zFract="0.3854694"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="6.32409"
                        xFract="0.74929976"
                        y3="6.36269"
                        yFract="0.75387322"
                        z3="6.41861"
                        zFract="0.28886634"/>
                  <atom elementType="Zn"
                        id="a31"
                        x3="2.1100"
                        xFract="0.2500"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Zn"
                        id="a32"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a33"
                        x3="-0.00175"
                        xFract="-0.00020735"
                        y3="6.32933"
                        yFract="0.74992062"
                        z3="4.23865"
                        zFract="0.19075833"/>
                  <atom elementType="Zn"
                        id="a34"
                        x3="4.21245"
                        xFract="0.49910545"
                        y3="2.09397"
                        yFract="0.24810071"
                        z3="4.23723"
                        zFract="0.19069442"/>
                  <atom elementType="Zn"
                        id="a35"
                        x3="6.33711"
                        xFract="0.75084242"
                        y3="4.23729"
                        yFract="0.50204858"
                        z3="4.24147"
                        zFract="0.19088524"/>
                  <atom elementType="Zn"
                        id="a36"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="4.2200"
                        yFract="0.5000"
                        z3="2.10979"
                        zFract="0.09495005"/>
                  <atom elementType="Zn"
                        id="a37"
                        x3="0.00792"
                        xFract="0.00093839"
                        y3="2.1029"
                        yFract="0.24915877"
                        z3="8.49035"
                        zFract="0.38210396"/>
                  <atom elementType="Zn"
                        id="a38"
                        x3="6.32006"
                        xFract="0.74882227"
                        y3="-0.00604"
                        yFract="-0.00071564"
                        z3="4.24795"
                        zFract="0.19117687"/>
                  <atom elementType="Zn"
                        id="a39"
                        x3="0.00086"
                        xFract="0.0001019"
                        y3="6.3265"
                        yFract="0.74958531"
                        z3="8.50883"
                        zFract="0.38293564"/>
                  <atom elementType="Zn"
                        id="a40"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.1100"
                        yFract="0.2500"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <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="0.01988"
                        xFract="0.00235545"
                        y3="2.09163"
                        yFract="0.24782346"
                        z3="6.33947"
                        zFract="0.28530468"/>
                  <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="2.10655"
                        xFract="0.24959123"
                        y3="-0.01066"
                        yFract="-0.00126303"
                        z3="6.30905"
                        zFract="0.28393564"/>
                  <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="0.0197"
                        xFract="0.00233412"
                        y3="0.02265"
                        yFract="0.00268365"
                        z3="4.28124"
                        zFract="0.19267507"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.02435"
                        xFract="0.00288507"
                        y3="-0.01295"
                        yFract="-0.00153436"
                        z3="8.51796"
                        zFract="0.38334653"/>
                  <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="2.09474"
                        xFract="0.24819194"
                        y3="2.17024"
                        yFract="0.25713744"
                        z3="4.24105"
                        zFract="0.19086634"/>
                  <atom elementType="O"
                        id="a50"
                        x3="2.13724"
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                        y3="2.20382"
                        yFract="0.26111611"
                        z3="8.47072"
                        zFract="0.38122052"/>
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                        id="a51"
                        x3="4.2200"
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                        y3="2.1100"
                        yFract="0.2500"
                        z3="2.10979"
                        zFract="0.09495005"/>
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                        id="a52"
                        x3="4.22532"
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                        yFract="0.25653081"
                        z3="6.39172"
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                        id="a53"
                        x3="6.3300"
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                        y3="0.0000"
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                        id="a54"
                        x3="6.34548"
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                        x3="0.0000"
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                        id="a67"
                        x3="-0.0220"
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                        id="a68"
                        x3="2.1100"
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                        x3="2.13878"
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         </module>
      </module>
   </module>
</module>
