<?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="0.70545851"
                        xFract="0.05807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.26107364"
                        xFract="0.43307052"
                        y3="8.48868376"
                        yFract="0.98818804"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="3.74253526"
                        xFract="0.30807052"
                        y3="6.34114619"
                        yFract="0.73818804"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.29815039"
                        xFract="0.68307052"
                        y3="8.48868376"
                        yFract="0.98818804"
                        z3="1.99999993"
                        zFract="0.08132497"/>
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                        id="a5"
                        x3="9.81668877"
                        xFract="0.80807052"
                        y3="6.34114619"
                        yFract="0.73818804"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.33522714"
                        xFract="0.93307052"
                        y3="8.48868376"
                        yFract="0.98818804"
                        z3="5.03707687"
                        zFract="0.20482007"/>
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                        id="a7"
                        x3="8.29815039"
                        xFract="0.68307052"
                        y3="8.48868376"
                        yFract="0.98818804"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.70545851"
                        xFract="0.05807052"
                        y3="6.34114619"
                        yFract="0.73818804"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.77961201"
                        xFract="0.55807052"
                        y3="6.34114619"
                        yFract="0.73818804"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.77961201"
                        xFract="0.55807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.81668877"
                        xFract="0.80807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.29815039"
                        xFract="0.68307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.33522714"
                        xFract="0.93307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.77961201"
                        xFract="0.55807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="0.70545851"
                        xFract="0.05807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="8.29815039"
                        xFract="0.68307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.33522714"
                        xFract="0.93307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="9.81668877"
                        xFract="0.80807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.29815039"
                        xFract="0.68307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.33522714"
                        xFract="0.93307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="9.81668877"
                        xFract="0.80807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="11.33522714"
                        xFract="0.93307052"
                        y3="8.48868376"
                        yFract="0.98818804"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.29815039"
                        xFract="0.68307052"
                        y3="8.48868376"
                        yFract="0.98818804"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="9.81668877"
                        xFract="0.80807052"
                        y3="6.34114619"
                        yFract="0.73818804"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.22399688"
                        xFract="0.18307052"
                        y3="8.48868376"
                        yFract="0.98818804"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.77961201"
                        xFract="0.55807052"
                        y3="6.34114619"
                        yFract="0.73818804"
                        z3="3.5185384"
                        zFract="0.14307252"/>
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                        id="a27"
                        x3="3.74253526"
                        xFract="0.30807052"
                        y3="6.34114619"
                        yFract="0.73818804"
                        z3="3.5185384"
                        zFract="0.14307252"/>
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                        id="a28"
                        x3="2.22399688"
                        xFract="0.18307052"
                        y3="8.48868376"
                        yFract="0.98818804"
                        z3="5.03707687"
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                        id="a29"
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                        xFract="0.18307052"
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                        z3="5.03707687"
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                        id="a30"
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                        xFract="0.43307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="5.03707687"
                        zFract="0.20482007"/>
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                        id="a31"
                        x3="3.74253526"
                        xFract="0.30807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="3.5185384"
                        zFract="0.14307252"/>
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                        id="a32"
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                        xFract="0.18307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="1.99999993"
                        zFract="0.08132497"/>
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                        id="a33"
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                        xFract="0.43307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="1.99999993"
                        zFract="0.08132497"/>
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                        id="a34"
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                        xFract="0.30807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="6.5556151"
                        zFract="0.26656761"/>
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                        id="a35"
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                        xFract="0.43307052"
                        y3="8.48868376"
                        yFract="0.98818804"
                        z3="5.03707687"
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                        id="a36"
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                        xFract="0.43307052"
                        y3="4.19360862"
                        yFract="0.48818804"
                        z3="8.07415357"
                        zFract="0.32831516"/>
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                        id="a37"
                        x3="6.77961201"
                        xFract="0.55807052"
                        y3="2.04607106"
                        yFract="0.23818804"
                        z3="6.5556151"
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                        id="a38"
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                        xFract="0.18307052"
                        y3="4.19360862"
                        yFract="0.48818804"
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                        id="a39"
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                        xFract="0.80807052"
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                        yFract="0.73818804"
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                  <bond atomRefs2="a34 a57" order="S"/>
                  <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 a61" order="S"/>
                  <bond atomRefs2="a41 a62" order="S"/>
                  <bond atomRefs2="a42 a60" order="S"/>
                  <bond atomRefs2="a43 a60" order="S"/>
                  <bond atomRefs2="a44 a60" 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 a59" 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:69CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O3O4O4O3OO4O1OO3OO4OO3O4O3O4O1O4O3O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s5s16s17s39;s19s26s33;s22s23s24s39;s7s26s35s46;s8s38s45;s18s21;s34s36s38s47;s1;s31s34;s31s32s33;s15s48;s3s42s43s44;s32s41;s8s28s41;s3s27s29s30;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">-296.13716054</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-296.11867167</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-296.12791611</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.2978</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4741560E-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="0.70546"
                        xFract="0.05807064"
                        y3="2.04607"
                        yFract="0.23818792"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.26107"
                        xFract="0.43307022"
                        y3="8.48868"
                        yFract="0.9881876"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="3.6402"
                        xFract="0.29964669"
                        y3="6.19528"
                        yFract="0.72120741"
                        z3="6.2592"
                        zFract="0.25451464"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.29815"
                        xFract="0.68307049"
                        y3="8.48868"
                        yFract="0.9881876"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.81669"
                        xFract="0.80807062"
                        y3="6.34115"
                        yFract="0.73818848"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.39484"
                        xFract="0.93797761"
                        y3="8.52188"
                        yFract="0.99205249"
                        z3="4.81254"
                        zFract="0.19568984"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="8.25128"
                        xFract="0.67921234"
                        y3="8.47456"
                        yFract="0.98654386"
                        z3="5.01437"
                        zFract="0.20389675"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.68206"
                        xFract="0.05614445"
                        y3="6.05514"
                        yFract="0.70489337"
                        z3="6.24047"
                        zFract="0.25375303"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.55463"
                        xFract="0.5395509"
                        y3="7.36581"
                        yFract="0.85747161"
                        z3="9.05804"
                        zFract="0.36832243"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.77961"
                        xFract="0.55807035"
                        y3="2.04607"
                        yFract="0.23818792"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.94325"
                        xFract="0.73617254"
                        y3="1.76374"
                        yFract="0.2053212"
                        z3="8.93482"
                        zFract="0.363312"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.31311"
                        xFract="0.68430194"
                        y3="4.40029"
                        yFract="0.51224831"
                        z3="8.12883"
                        zFract="0.33053844"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.34203"
                        xFract="0.9336305"
                        y3="4.10243"
                        yFract="0.47757372"
                        z3="7.8955"
                        zFract="0.32105066"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.62786"
                        xFract="0.5455789"
                        y3="1.19904"
                        yFract="0.13958312"
                        z3="8.96698"
                        zFract="0.3646197"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="0.6470"
                        xFract="0.05325845"
                        y3="2.12029"
                        yFract="0.24682805"
                        z3="5.94061"
                        zFract="0.24155997"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="8.3770"
                        xFract="0.6895611"
                        y3="4.09367"
                        yFract="0.47655395"
                        z3="5.00774"
                        zFract="0.20362716"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.56923"
                        xFract="0.9523327"
                        y3="3.8841"
                        yFract="0.4521574"
                        z3="4.70462"
                        zFract="0.19130155"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="9.81669"
                        xFract="0.80807062"
                        y3="2.04607"
                        yFract="0.23818792"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.29815"
                        xFract="0.68307049"
                        y3="4.19361"
                        yFract="0.4881882"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.33523"
                        xFract="0.93307076"
                        y3="4.19361"
                        yFract="0.4881882"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="9.80218"
                        xFract="0.80687622"
                        y3="2.10134"
                        yFract="0.24462203"
                        z3="6.44024"
                        zFract="0.26187617"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="11.41015"
                        xFract="0.93923787"
                        y3="-0.16344"
                        yFract="-0.01902644"
                        z3="7.66601"
                        zFract="0.31171903"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.17862"
                        xFract="0.67323126"
                        y3="-0.07239"
                        yFract="-0.00842709"
                        z3="7.58049"
                        zFract="0.30824157"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="10.37856"
                        xFract="0.85432151"
                        y3="6.0702"
                        yFract="0.70664654"
                        z3="8.91731"
                        zFract="0.3626"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.2240"
                        xFract="0.18307078"
                        y3="8.48868"
                        yFract="0.9881876"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.77961"
                        xFract="0.55807035"
                        y3="6.34115"
                        yFract="0.73818848"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.74254"
                        xFract="0.30807091"
                        y3="6.34115"
                        yFract="0.73818848"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.36511"
                        xFract="0.19468639"
                        y3="8.33103"
                        yFract="0.96983519"
                        z3="4.52968"
                        zFract="0.18418805"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.90037"
                        xFract="0.15643085"
                        y3="3.86311"
                        yFract="0.4497139"
                        z3="4.74178"
                        zFract="0.19281256"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="5.20583"
                        xFract="0.42852309"
                        y3="4.03011"
                        yFract="0.46915477"
                        z3="5.02032"
                        zFract="0.20413869"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.74254"
                        xFract="0.30807091"
                        y3="2.04607"
                        yFract="0.23818792"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.2240"
                        xFract="0.18307078"
                        y3="4.19361"
                        yFract="0.4881882"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="5.26107"
                        xFract="0.43307022"
                        y3="4.19361"
                        yFract="0.4881882"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="3.83128"
                        xFract="0.31537563"
                        y3="2.11031"
                        yFract="0.24566625"
                        z3="6.41846"
                        zFract="0.26099054"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.26742"
                        xFract="0.43359293"
                        y3="8.38602"
                        yFract="0.97623671"
                        z3="4.76352"
                        zFract="0.19369657"/>
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                        id="a36"
                        x3="5.3511"
                        xFract="0.44048113"
                        y3="4.34722"
                        yFract="0.50607031"
                        z3="8.15361"
                        zFract="0.33154606"/>
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                        y3="1.69427"
                        yFract="0.19723404"
                        z3="6.48651"
                        zFract="0.26375762"/>
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                        xFract="0.19415792"
                        y3="4.20322"
                        yFract="0.48930692"
                        z3="7.84084"
                        zFract="0.31882805"/>
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                        xFract="0.81168512"
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                        yFract="0.7346088"
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                        zFract="0.25745657"/>
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                        y3="8.48868"
                        yFract="0.9881876"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        z3="3.51854"
                        zFract="0.14307259"/>
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                        y3="6.20224"
                        yFract="0.72201764"
                        z3="9.01405"
                        zFract="0.36653369"/>
                  <atom elementType="Cu"
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                        x3="2.25499"
                        xFract="0.18562175"
                        y3="-0.0585"
                        yFract="-0.00681013"
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                        zFract="0.31207076"/>
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                        yFract="-0.00739684"
                        z3="7.30717"
                        zFract="0.2971277"/>
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                        xFract="0.07113666"
                        y3="6.79221"
                        yFract="0.79069746"
                        z3="8.86713"
                        zFract="0.36055955"/>
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                        y3="6.31885"
                        yFract="0.73559249"
                        z3="6.66895"
                        zFract="0.27117609"/>
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                        x3="4.23453"
                        xFract="0.34856956"
                        y3="1.46044"
                        yFract="0.17001332"
                        z3="8.81739"
                        zFract="0.358537"/>
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                        id="a48"
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                        xFract="0.07171781"
                        y3="2.47465"
                        yFract="0.28807994"
                        z3="8.65872"
                        zFract="0.35208508"/>
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                        x3="9.97213"
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                        y3="5.09224"
                        yFract="0.59279987"
                        z3="4.93432"
                        zFract="0.20064172"/>
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                        y3="5.26738"
                        yFract="0.61318834"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        yFract="0.87218614"
                        z3="7.80805"
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                        zFract="0.3198129"/>
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                        y3="0.91412"
                        yFract="0.1064149"
                        z3="5.00634"
                        zFract="0.20357023"/>
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                        yFract="0.1066163"
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                        z3="7.63392"
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                        yFract="0.61318834"
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                        z3="2.0000"
                        zFract="0.08132497"/>
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                        id="a65"
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                        yFract="0.3721879"
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                        id="a66"
                        x3="6.77961"
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                        yFract="0.11318778"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        yFract="0.35618003"
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                        zFract="0.20885636"/>
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                        id="a68"
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                        yFract="0.36318806"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        id="a69"
                        x3="6.81263"
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                        yFract="0.6409364"
                        z3="8.3907"
                        zFract="0.34118672"/>
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                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a56" order="S"/>
                  <bond atomRefs2="a3 a60" order="S"/>
                  <bond atomRefs2="a3 a63" order="S"/>
                  <bond atomRefs2="a4 a64" order="S"/>
                  <bond atomRefs2="a5 a49" order="S"/>
                  <bond atomRefs2="a5 a64" order="S"/>
                  <bond atomRefs2="a7 a52" order="S"/>
                  <bond atomRefs2="a8 a53" order="S"/>
                  <bond atomRefs2="a8 a62" 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 a21" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a12 a65" order="S"/>
                  <bond atomRefs2="a12 a69" order="S"/>
                  <bond atomRefs2="a13 a24" order="S"/>
                  <bond atomRefs2="a13 a65" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a15 a29" order="S"/>
                  <bond atomRefs2="a15 a59" order="S"/>
                  <bond atomRefs2="a16 a67" order="S"/>
                  <bond atomRefs2="a16 a49" order="S"/>
                  <bond atomRefs2="a17 a49" order="S"/>
                  <bond atomRefs2="a18 a54" order="S"/>
                  <bond atomRefs2="a18 a68" order="S"/>
                  <bond atomRefs2="a19 a50" order="S"/>
                  <bond atomRefs2="a19 a68" order="S"/>
                  <bond atomRefs2="a20 a68" order="S"/>
                  <bond atomRefs2="a21 a65" order="S"/>
                  <bond atomRefs2="a21 a54" 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 a63" order="S"/>
                  <bond atomRefs2="a28 a62" order="S"/>
                  <bond atomRefs2="a29 a63" order="S"/>
                  <bond atomRefs2="a30 a63" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a31 a57" order="S"/>
                  <bond atomRefs2="a31 a58" order="S"/>
                  <bond atomRefs2="a32 a61" order="S"/>
                  <bond atomRefs2="a32 a58" order="S"/>
                  <bond atomRefs2="a33 a50" order="S"/>
                  <bond atomRefs2="a33 a58" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a55" order="S"/>
                  <bond atomRefs2="a34 a57" order="S"/>
                  <bond atomRefs2="a35 a52" 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 a48" order="S"/>
                  <bond atomRefs2="a38 a53" order="S"/>
                  <bond atomRefs2="a38 a55" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a64" order="S"/>
                  <bond atomRefs2="a41 a61" order="S"/>
                  <bond atomRefs2="a41 a62" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a42 a60" order="S"/>
                  <bond atomRefs2="a43 a59" 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 a59" 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>
