<?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">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-03T23:05:24.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.148307014</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.592691884</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <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="0.69110893"
                        xFract="0.05688932"
                        y3="2.03592446"
                        yFract="0.23700685"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.24672406"
                        xFract="0.43188932"
                        y3="8.47853716"
                        yFract="0.98700685"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="3.72818568"
                        xFract="0.30688932"
                        y3="6.33099959"
                        yFract="0.73700685"
                        z3="6.5556151"
                        zFract="0.26656761"/>
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                        id="a4"
                        x3="8.28380081"
                        xFract="0.68188932"
                        y3="8.47853716"
                        yFract="0.98700685"
                        z3="1.99999993"
                        zFract="0.08132497"/>
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                        id="a5"
                        x3="9.80233919"
                        xFract="0.80688932"
                        y3="6.33099959"
                        yFract="0.73700685"
                        z3="3.5185384"
                        zFract="0.14307252"/>
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                        id="a6"
                        x3="11.32087756"
                        xFract="0.93188932"
                        y3="8.47853716"
                        yFract="0.98700685"
                        z3="5.03707687"
                        zFract="0.20482007"/>
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                        id="a7"
                        x3="8.28380081"
                        xFract="0.68188932"
                        y3="8.47853716"
                        yFract="0.98700685"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.69110893"
                        xFract="0.05688932"
                        y3="6.33099959"
                        yFract="0.73700685"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.76526243"
                        xFract="0.55688932"
                        y3="6.33099959"
                        yFract="0.73700685"
                        z3="9.5926918"
                        zFract="0.3900627"/>
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                        id="a10"
                        x3="6.76526243"
                        xFract="0.55688932"
                        y3="2.03592446"
                        yFract="0.23700685"
                        z3="3.5185384"
                        zFract="0.14307252"/>
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                        id="a11"
                        x3="9.80233919"
                        xFract="0.80688932"
                        y3="2.03592446"
                        yFract="0.23700685"
                        z3="9.5926918"
                        zFract="0.3900627"/>
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                        id="a12"
                        x3="8.28380081"
                        xFract="0.68188932"
                        y3="4.18346202"
                        yFract="0.48700685"
                        z3="8.07415357"
                        zFract="0.32831516"/>
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                        id="a13"
                        x3="11.32087756"
                        xFract="0.93188932"
                        y3="4.18346202"
                        yFract="0.48700685"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.76526243"
                        xFract="0.55688932"
                        y3="2.03592446"
                        yFract="0.23700685"
                        z3="9.5926918"
                        zFract="0.3900627"/>
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                        id="a15"
                        x3="0.69110893"
                        xFract="0.05688932"
                        y3="2.03592446"
                        yFract="0.23700685"
                        z3="6.5556151"
                        zFract="0.26656761"/>
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                        id="a16"
                        x3="8.28380081"
                        xFract="0.68188932"
                        y3="4.18346202"
                        yFract="0.48700685"
                        z3="5.03707687"
                        zFract="0.20482007"/>
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                        id="a17"
                        x3="11.32087756"
                        xFract="0.93188932"
                        y3="4.18346202"
                        yFract="0.48700685"
                        z3="5.03707687"
                        zFract="0.20482007"/>
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                        id="a18"
                        x3="9.80233919"
                        xFract="0.80688932"
                        y3="2.03592446"
                        yFract="0.23700685"
                        z3="3.5185384"
                        zFract="0.14307252"/>
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                        id="a19"
                        x3="8.28380081"
                        xFract="0.68188932"
                        y3="4.18346202"
                        yFract="0.48700685"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.32087756"
                        xFract="0.93188932"
                        y3="4.18346202"
                        yFract="0.48700685"
                        z3="1.99999993"
                        zFract="0.08132497"/>
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                        id="a21"
                        x3="9.80233919"
                        xFract="0.80688932"
                        y3="2.03592446"
                        yFract="0.23700685"
                        z3="6.5556151"
                        zFract="0.26656761"/>
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                        id="a22"
                        x3="11.32087756"
                        xFract="0.93188932"
                        y3="8.47853716"
                        yFract="0.98700685"
                        z3="8.07415357"
                        zFract="0.32831516"/>
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                        id="a23"
                        x3="8.28380081"
                        xFract="0.68188932"
                        y3="8.47853716"
                        yFract="0.98700685"
                        z3="8.07415357"
                        zFract="0.32831516"/>
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                        id="a24"
                        x3="9.80233919"
                        xFract="0.80688932"
                        y3="6.33099959"
                        yFract="0.73700685"
                        z3="9.5926918"
                        zFract="0.3900627"/>
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                        id="a25"
                        x3="2.2096473"
                        xFract="0.18188932"
                        y3="8.47853716"
                        yFract="0.98700685"
                        z3="1.99999993"
                        zFract="0.08132497"/>
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                        id="a26"
                        x3="6.76526243"
                        xFract="0.55688932"
                        y3="6.33099959"
                        yFract="0.73700685"
                        z3="3.5185384"
                        zFract="0.14307252"/>
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                        id="a27"
                        x3="3.72818568"
                        xFract="0.30688932"
                        y3="6.33099959"
                        yFract="0.73700685"
                        z3="3.5185384"
                        zFract="0.14307252"/>
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                        id="a28"
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                        y3="8.47853716"
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                        z3="5.03707687"
                        zFract="0.20482007"/>
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                        xFract="0.30688932"
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                        yFract="0.23700685"
                        z3="3.5185384"
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                        id="a33"
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                        yFract="0.48700685"
                        z3="1.99999993"
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                        yFract="0.23700685"
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                        id="a36"
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                        yFract="0.48700685"
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                        id="a37"
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                        xFract="0.55688932"
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                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a36 a55" order="S"/>
                  <bond atomRefs2="a36 a69" order="S"/>
                  <bond atomRefs2="a37 a67" order="S"/>
                  <bond atomRefs2="a38 a55" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a41 a62" order="S"/>
                  <bond atomRefs2="a41 a63" order="S"/>
                  <bond atomRefs2="a42 a61" order="S"/>
                  <bond atomRefs2="a43 a61" order="S"/>
                  <bond atomRefs2="a44 a61" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a46 a69" order="S"/>
                  <bond atomRefs2="a46 a52" order="S"/>
                  <bond atomRefs2="a47 a55" order="S"/>
                  <bond atomRefs2="a48 a60" order="S"/>
               </bondArray>
               <formula concise="Cu48O21">
                  <atomArray count="48 21" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3386.1954000000014</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.21O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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/rA:69CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O3O4O4O3OO4O1O3OO3OO4OO3O3O4O1O4O3O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s5s16s17s39;s19s26s33;s22s23s24s39;s7s26s35s46;s8s38s45;s18s21;s34s36s38s47;s1;s1s15s29;s31s34;s31s32s33;s15s48;s3s42s43s44;s32s41;s8s28s41;s4s5s40;s11s12s13s21;s10;s10s16s30s37;s18s19s20;s9s12s36s46;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-05</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.3E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.3000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">654.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">48 21</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">3 4 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="7">1 2 3 4 5 6 7</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-296.50928677</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-296.49860532</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-296.50394604</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.3091</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2181483E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.148307014</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">24.592691884</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="0.69111"
                        xFract="0.05688941"
                        y3="2.03592"
                        yFract="0.23700633"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.24672"
                        xFract="0.43188899"
                        y3="8.47854"
                        yFract="0.98700718"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="3.7535"
                        xFract="0.30897309"
                        y3="6.09384"
                        yFract="0.70939853"
                        z3="5.9506"
                        zFract="0.24196619"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.2838"
                        xFract="0.68188925"
                        y3="8.47854"
                        yFract="0.98700718"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.80234"
                        xFract="0.80688939"
                        y3="6.3310"
                        yFract="0.7370069"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.37948"
                        xFract="0.93671324"
                        y3="8.52818"
                        yFract="0.99278589"
                        z3="4.95311"
                        zFract="0.20140577"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="8.26736"
                        xFract="0.68053598"
                        y3="8.52726"
                        yFract="0.99267879"
                        z3="4.91396"
                        zFract="0.19981383"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.77523"
                        xFract="0.06381383"
                        y3="6.07938"
                        yFract="0.70771521"
                        z3="6.32553"
                        zFract="0.25721178"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.50979"
                        xFract="0.53585985"
                        y3="7.47559"
                        yFract="0.87025137"
                        z3="8.94699"
                        zFract="0.36380686"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.76526"
                        xFract="0.55688912"
                        y3="2.03592"
                        yFract="0.23700633"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.7502"
                        xFract="0.80259743"
                        y3="1.43387"
                        yFract="0.16692025"
                        z3="8.80267"
                        zFract="0.35793845"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.89464"
                        xFract="0.64985516"
                        y3="4.28394"
                        yFract="0.49870373"
                        z3="8.19989"
                        zFract="0.33342792"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.04599"
                        xFract="0.90926168"
                        y3="4.10651"
                        yFract="0.47804868"
                        z3="7.90099"
                        zFract="0.3212739"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.92175"
                        xFract="0.56977075"
                        y3="1.70379"
                        yFract="0.19834228"
                        z3="8.65997"
                        zFract="0.35213591"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="0.9272"
                        xFract="0.07632339"
                        y3="2.01284"
                        yFract="0.23431953"
                        z3="6.32634"
                        zFract="0.25724471"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="8.15615"
                        xFract="0.67138162"
                        y3="4.24354"
                        yFract="0.49400067"
                        z3="4.97346"
                        zFract="0.20223325"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.34391"
                        xFract="0.93378526"
                        y3="4.19918"
                        yFract="0.48883662"
                        z3="4.9370"
                        zFract="0.2007507"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="9.80234"
                        xFract="0.80688939"
                        y3="2.03592"
                        yFract="0.23700633"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.2838"
                        xFract="0.68188925"
                        y3="4.18346"
                        yFract="0.48700661"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.32088"
                        xFract="0.93188952"
                        y3="4.18346"
                        yFract="0.48700661"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="9.46261"
                        xFract="0.77892417"
                        y3="2.20356"
                        yFract="0.25652171"
                        z3="6.42563"
                        zFract="0.26128209"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="11.47039"
                        xFract="0.94419659"
                        y3="8.42395"
                        yFract="0.98065223"
                        z3="7.75833"
                        zFract="0.31547299"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.09054"
                        xFract="0.66598086"
                        y3="0.03274"
                        yFract="0.00381134"
                        z3="7.43114"
                        zFract="0.30216863"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="10.53793"
                        xFract="0.86744021"
                        y3="6.24466"
                        yFract="0.72695585"
                        z3="8.99397"
                        zFract="0.36571718"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.20965"
                        xFract="0.18188954"
                        y3="8.47854"
                        yFract="0.98700718"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.76526"
                        xFract="0.55688912"
                        y3="6.3310"
                        yFract="0.7370069"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.72819"
                        xFract="0.30688968"
                        y3="6.3310"
                        yFract="0.7370069"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.36187"
                        xFract="0.19441968"
                        y3="8.32207"
                        yFract="0.96879213"
                        z3="4.59933"
                        zFract="0.18702019"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.47532"
                        xFract="0.20375843"
                        y3="4.41598"
                        yFract="0.51407483"
                        z3="4.70458"
                        zFract="0.19129992"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.94251"
                        xFract="0.40684764"
                        y3="4.37326"
                        yFract="0.50910169"
                        z3="4.66187"
                        zFract="0.18956323"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.72819"
                        xFract="0.30688968"
                        y3="2.03592"
                        yFract="0.23700633"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.20965"
                        xFract="0.18188954"
                        y3="4.18346"
                        yFract="0.48700661"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="5.24672"
                        xFract="0.43188899"
                        y3="4.18346"
                        yFract="0.48700661"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="3.83694"
                        xFract="0.31584154"
                        y3="2.09509"
                        yFract="0.24389445"
                        z3="6.49394"
                        zFract="0.26405975"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.30139"
                        xFract="0.4363892"
                        y3="8.45221"
                        yFract="0.98394204"
                        z3="4.71399"
                        zFract="0.19168255"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.15648"
                        xFract="0.42446079"
                        y3="4.26368"
                        yFract="0.49634522"
                        z3="8.24127"
                        zFract="0.33511053"/>
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                        y3="1.88218"
                        yFract="0.21910909"
                        z3="6.22803"
                        zFract="0.25324719"/>
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                        x3="2.14612"
                        xFract="0.17666001"
                        y3="3.87151"
                        yFract="0.45069177"
                        z3="7.98945"
                        zFract="0.3248709"/>
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                        x3="9.7262"
                        xFract="0.80062185"
                        y3="6.4502"
                        yFract="0.75088326"
                        z3="6.50408"
                        zFract="0.26447206"/>
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                        id="a40"
                        x3="11.32088"
                        xFract="0.93188952"
                        y3="8.47854"
                        yFract="0.98700718"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        x3="0.69111"
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                        y3="6.3310"
                        yFract="0.7370069"
                        z3="3.51854"
                        zFract="0.14307259"/>
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                        id="a42"
                        x3="3.28049"
                        xFract="0.2700368"
                        y3="5.97562"
                        yFract="0.69563626"
                        z3="8.49451"
                        zFract="0.3454079"/>
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                        id="a43"
                        x3="2.50763"
                        xFract="0.20641806"
                        y3="8.36866"
                        yFract="0.97421579"
                        z3="7.71545"
                        zFract="0.31372938"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="5.50532"
                        xFract="0.4531759"
                        y3="0.0911"
                        yFract="0.01060517"
                        z3="7.18606"
                        zFract="0.29220307"/>
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                        x3="0.88251"
                        xFract="0.07264469"
                        y3="6.59771"
                        yFract="0.76805525"
                        z3="8.80984"
                        zFract="0.35823"/>
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                        id="a46"
                        x3="6.73389"
                        xFract="0.55430687"
                        y3="6.29811"
                        yFract="0.73317809"
                        z3="6.63399"
                        zFract="0.26975453"/>
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                        id="a47"
                        x3="4.56401"
                        xFract="0.37569103"
                        y3="1.37373"
                        yFract="0.1599192"
                        z3="8.94361"
                        zFract="0.36366942"/>
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                        id="a48"
                        x3="0.01876"
                        xFract="0.00154425"
                        y3="2.14298"
                        yFract="0.24946944"
                        z3="8.79196"
                        zFract="0.35750295"/>
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                        x3="9.75898"
                        xFract="0.80332017"
                        y3="5.2345"
                        yFract="0.6093607"
                        z3="5.07609"
                        zFract="0.20640644"/>
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                        id="a50"
                        x3="6.76526"
                        xFract="0.55688912"
                        y3="5.25723"
                        yFract="0.61200676"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        id="a51"
                        x3="9.72386"
                        xFract="0.80042923"
                        y3="7.66948"
                        yFract="0.89282257"
                        z3="7.98417"
                        zFract="0.3246562"/>
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                        id="a52"
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                        z3="5.06156"
                        zFract="0.20581561"/>
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                        yFract="0.11441942"
                        z3="5.04845"
                        zFract="0.20528253"/>
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                        y3="2.98153"
                        yFract="0.34708706"
                        z3="8.19267"
                        zFract="0.33313433"/>
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                        id="a56"
                        x3="0.69111"
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                        y3="0.96216"
                        yFract="0.11200735"
                        z3="2.0000"
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                        id="a57"
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                        xFract="0.06945906"
                        y3="3.25688"
                        yFract="0.37914121"
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                        zFract="0.20117074"/>
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                        y3="0.95067"
                        yFract="0.11066978"
                        z3="5.01554"
                        zFract="0.20394433"/>
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                        x3="3.72819"
                        xFract="0.30688968"
                        y3="3.10969"
                        yFract="0.36200647"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        id="a60"
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                        id="a61"
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                        yFract="0.8569594"
                        z3="7.4275"
                        zFract="0.30202062"/>
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                        id="a62"
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                        y3="5.25723"
                        yFract="0.61200676"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        id="a63"
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                        xFract="0.06053436"
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                        zFract="0.2046917"/>
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                        x3="9.80234"
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                        yFract="0.86200704"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        x3="9.39501"
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                        zFract="0.32731228"/>
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                        id="a66"
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                        y3="0.96216"
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                        z3="2.0000"
                        zFract="0.08132497"/>
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                        id="a67"
                        x3="6.55472"
                        xFract="0.53955831"
                        y3="3.26802"
                        yFract="0.38043805"
                        z3="4.94172"
                        zFract="0.20094262"/>
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                        id="a68"
                        x3="9.80234"
                        xFract="0.80688939"
                        y3="3.10969"
                        yFract="0.36200647"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        id="a69"
                        x3="6.53256"
                        xFract="0.53773419"
                        y3="5.54177"
                        yFract="0.64513074"
                        z3="8.39295"
                        zFract="0.34127822"/>
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               <bondArray>
                  <bond atomRefs2="a1 a57" order="S"/>
                  <bond atomRefs2="a1 a56" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a30" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a3 a27" order="S"/>
                  <bond atomRefs2="a3 a61" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a64" order="S"/>
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                  <bond atomRefs2="a8 a63" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a9 a69" order="S"/>
                  <bond atomRefs2="a10 a67" order="S"/>
                  <bond atomRefs2="a10 a66" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a21" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a12 a69" order="S"/>
                  <bond atomRefs2="a12 a65" order="S"/>
                  <bond atomRefs2="a13 a24" order="S"/>
                  <bond atomRefs2="a13 a65" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a15 a48" order="S"/>
                  <bond atomRefs2="a15 a60" order="S"/>
                  <bond atomRefs2="a15 a57" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a16 a67" order="S"/>
                  <bond atomRefs2="a17 a49" order="S"/>
                  <bond atomRefs2="a18 a68" order="S"/>
                  <bond atomRefs2="a18 a54" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a20 a68" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a21 a65" order="S"/>
                  <bond atomRefs2="a21 a54" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a51" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a23 a37" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a24 a51" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a26 a50" order="S"/>
                  <bond atomRefs2="a26 a52" order="S"/>
                  <bond atomRefs2="a27 a28" order="S"/>
                  <bond atomRefs2="a27 a29" order="S"/>
                  <bond atomRefs2="a27 a30" order="S"/>
                  <bond atomRefs2="a28 a63" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a57" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a31 a59" order="S"/>
                  <bond atomRefs2="a31 a58" order="S"/>
                  <bond atomRefs2="a32 a59" order="S"/>
                  <bond atomRefs2="a32 a62" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
                  <bond atomRefs2="a33 a59" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a34 a58" order="S"/>
                  <bond atomRefs2="a35 a52" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a69" order="S"/>
                  <bond atomRefs2="a36 a55" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a37 a67" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a55" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a41 a63" order="S"/>
                  <bond atomRefs2="a41 a62" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a61" order="S"/>
                  <bond atomRefs2="a43 a45" order="S"/>
                  <bond atomRefs2="a43 a61" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a45 a53" order="S"/>
                  <bond atomRefs2="a46 a69" order="S"/>
                  <bond atomRefs2="a46 a52" order="S"/>
                  <bond atomRefs2="a47 a55" order="S"/>
                  <bond atomRefs2="a48 a60" order="S"/>
               </bondArray>
               <formula concise="Cu48O21">
                  <atomArray count="48 21" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3386.1954000000014</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.21O">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
