<?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">2022-08-03T22:43:00.000</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>
                  <atom elementType="Cu"
                        id="a1"
                        x3="0.70932993"
                        xFract="0.0583892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.26494506"
                        xFract="0.4333892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="3.74640668"
                        xFract="0.3083892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.30202181"
                        xFract="0.6833892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.82056019"
                        xFract="0.8083892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.33909857"
                        xFract="0.9333892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="8.30202181"
                        xFract="0.6833892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.70932993"
                        xFract="0.0583892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.78348343"
                        xFract="0.5583892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.78348343"
                        xFract="0.5583892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.82056019"
                        xFract="0.8083892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.30202181"
                        xFract="0.6833892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.33909857"
                        xFract="0.9333892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.78348343"
                        xFract="0.5583892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="0.70932993"
                        xFract="0.0583892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="8.30202181"
                        xFract="0.6833892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.33909857"
                        xFract="0.9333892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="9.82056019"
                        xFract="0.8083892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.30202181"
                        xFract="0.6833892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.33909857"
                        xFract="0.9333892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="9.82056019"
                        xFract="0.8083892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="11.33909857"
                        xFract="0.9333892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.30202181"
                        xFract="0.6833892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="9.82056019"
                        xFract="0.8083892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.2278683"
                        xFract="0.1833892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.78348343"
                        xFract="0.5583892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.74640668"
                        xFract="0.3083892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.2278683"
                        xFract="0.1833892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.2278683"
                        xFract="0.1833892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="5.26494506"
                        xFract="0.4333892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.74640668"
                        xFract="0.3083892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.2278683"
                        xFract="0.1833892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="5.26494506"
                        xFract="0.4333892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="3.74640668"
                        xFract="0.3083892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.26494506"
                        xFract="0.4333892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.26494506"
                        xFract="0.4333892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="6.78348343"
                        xFract="0.5583892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="2.2278683"
                        xFract="0.1833892"
                        y3="4.27334437"
                        yFract="0.49747027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="9.82056019"
                        xFract="0.8083892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="11.33909857"
                        xFract="0.9333892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="0.70932993"
                        xFract="0.0583892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="3.5185384"
                        zFract="0.14307252"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="3.74640668"
                        xFract="0.3083892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="2.2278683"
                        xFract="0.1833892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="5.26494506"
                        xFract="0.4333892"
                        y3="8.56841951"
                        yFract="0.99747027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="0.70932993"
                        xFract="0.0583892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="6.78348343"
                        xFract="0.5583892"
                        y3="6.42088194"
                        yFract="0.74747027"
                        z3="6.5556151"
                        zFract="0.26656761"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.74640668"
                        xFract="0.3083892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="0.70932993"
                        xFract="0.0583892"
                        y3="2.12580681"
                        yFract="0.24747027"
                        z3="9.5926918"
                        zFract="0.3900627"/>
                  <atom elementType="O"
                        id="a49"
                        x3="6.78348343"
                        xFract="0.5583892"
                        y3="5.34711316"
                        yFract="0.62247027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="O"
                        id="a50"
                        x3="9.82056019"
                        xFract="0.8083892"
                        y3="7.49465073"
                        yFract="0.87247027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="O"
                        id="a51"
                        x3="6.78348343"
                        xFract="0.5583892"
                        y3="7.49465073"
                        yFract="0.87247027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="O"
                        id="a52"
                        x3="3.74640668"
                        xFract="0.3083892"
                        y3="3.19957559"
                        yFract="0.37247027"
                        z3="8.07415357"
                        zFract="0.32831516"/>
                  <atom elementType="O"
                        id="a53"
                        x3="0.70932993"
                        xFract="0.0583892"
                        y3="1.05203802"
                        yFract="0.12247027"
                        z3="1.99999993"
                        zFract="0.08132497"/>
                  <atom elementType="O"
                        id="a54"
                        x3="3.74640668"
                        xFract="0.3083892"
                        y3="1.05203802"
                        yFract="0.12247027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
                  <atom elementType="O"
                        id="a55"
                        x3="0.70932993"
                        xFract="0.0583892"
                        y3="7.49465073"
                        yFract="0.87247027"
                        z3="5.03707687"
                        zFract="0.20482007"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a53" order="S"/>
                  <bond atomRefs2="a7 a51" order="S"/>
                  <bond atomRefs2="a8 a55" order="S"/>
                  <bond atomRefs2="a19 a49" order="S"/>
                  <bond atomRefs2="a22 a50" order="S"/>
                  <bond atomRefs2="a23 a50" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a26 a49" order="S"/>
                  <bond atomRefs2="a26 a51" order="S"/>
                  <bond atomRefs2="a28 a55" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a54" order="S"/>
                  <bond atomRefs2="a35 a51" order="S"/>
                  <bond atomRefs2="a36 a52" order="S"/>
                  <bond atomRefs2="a38 a52" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a41 a55" order="S"/>
                  <bond atomRefs2="a46 a51" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
               </bondArray>
               <formula concise="Cu48O7">
                  <atomArray count="48 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3162.2037999999993</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.7O">
                  <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/rA:55CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3O4O4O4O1OO3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s19s26s33;s22s23s24s39;s7s26s35s46;s34s36s38s47;s1;s31s34;s8s28s41;/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">570.0000</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 7</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">
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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">-196.32503797</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-196.32039154</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-196.32271476</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.4362</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5666929E-01</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="0.70933"
                        xFract="0.05838921"
                        y3="2.12581"
                        yFract="0.24747064"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.26495"
                        xFract="0.43338961"
                        y3="8.56842"
                        yFract="0.99747033"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="3.39684"
                        xFract="0.27961427"
                        y3="5.60646"
                        yFract="0.65266146"
                        z3="5.94406"
                        zFract="0.24170026"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.30202"
                        xFract="0.68338905"
                        y3="8.56842"
                        yFract="0.99747033"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.82056"
                        xFract="0.80838918"
                        y3="6.42088"
                        yFract="0.74747004"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.92611"
                        xFract="0.89939363"
                        y3="0.05462"
                        yFract="0.00635845"
                        z3="4.44343"
                        zFract="0.18068091"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="8.4362"
                        xFract="0.69443421"
                        y3="0.24673"
                        yFract="0.02872243"
                        z3="4.43294"
                        zFract="0.18025436"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="0.79178"
                        xFract="0.06517616"
                        y3="5.79309"
                        yFract="0.6743875"
                        z3="5.89941"
                        zFract="0.23988468"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.23657"
                        xFract="0.51336948"
                        y3="6.31679"
                        yFract="0.73535268"
                        z3="8.03084"
                        zFract="0.32655392"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.78348"
                        xFract="0.55838892"
                        y3="2.12581"
                        yFract="0.24747064"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.51323"
                        xFract="0.78309101"
                        y3="3.1865"
                        yFract="0.37094811"
                        z3="8.03759"
                        zFract="0.32682839"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.63633"
                        xFract="0.62859212"
                        y3="4.5010"
                        yFract="0.52397221"
                        z3="6.90428"
                        zFract="0.28074519"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.42494"
                        xFract="0.94045532"
                        y3="4.28902"
                        yFract="0.49929511"
                        z3="7.04604"
                        zFract="0.28650951"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="7.29233"
                        xFract="0.60027541"
                        y3="2.29547"
                        yFract="0.26722117"
                        z3="8.14623"
                        zFract="0.33124597"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="0.50507"
                        xFract="0.04157534"
                        y3="2.24666"
                        yFract="0.26153908"
                        z3="5.88756"
                        zFract="0.23940283"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="8.77836"
                        xFract="0.72259945"
                        y3="4.13815"
                        yFract="0.48173197"
                        z3="4.55585"
                        zFract="0.18525219"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.34437"
                        xFract="0.93382312"
                        y3="4.12094"
                        yFract="0.47972851"
                        z3="4.50009"
                        zFract="0.18298485"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="9.82056"
                        xFract="0.80838918"
                        y3="2.12581"
                        yFract="0.24747064"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.30202"
                        xFract="0.68338905"
                        y3="4.27334"
                        yFract="0.49746976"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.3391"
                        xFract="0.93338932"
                        y3="4.27334"
                        yFract="0.49746976"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="10.06524"
                        xFract="0.82853026"
                        y3="2.08291"
                        yFract="0.24247655"
                        z3="5.94041"
                        zFract="0.24155184"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="11.31435"
                        xFract="0.931352"
                        y3="0.07884"
                        yFract="0.00917795"
                        z3="7.10185"
                        zFract="0.28877888"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.66149"
                        xFract="0.71297918"
                        y3="0.26992"
                        yFract="0.03142203"
                        z3="7.09699"
                        zFract="0.28858126"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="9.41327"
                        xFract="0.7748627"
                        y3="5.63393"
                        yFract="0.65585931"
                        z3="8.14868"
                        zFract="0.33134559"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.22787"
                        xFract="0.18338934"
                        y3="8.56842"
                        yFract="0.99747033"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.78348"
                        xFract="0.55838892"
                        y3="6.42088"
                        yFract="0.74747004"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.74641"
                        xFract="0.30838947"
                        y3="6.42088"
                        yFract="0.74747004"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.04388"
                        xFract="0.16824402"
                        y3="-0.18029"
                        yFract="-0.02098799"
                        z3="4.96641"
                        zFract="0.20194658"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.02613"
                        xFract="0.16678291"
                        y3="4.02346"
                        yFract="0.46838063"
                        z3="4.47744"
                        zFract="0.18206384"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.81008"
                        xFract="0.39594653"
                        y3="4.12452"
                        yFract="0.48014527"
                        z3="4.45547"
                        zFract="0.18117049"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.74641"
                        xFract="0.30838947"
                        y3="2.12581"
                        yFract="0.24747064"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.22787"
                        xFract="0.18338934"
                        y3="4.27334"
                        yFract="0.49746976"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="5.26495"
                        xFract="0.43338961"
                        y3="4.27334"
                        yFract="0.49746976"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="3.30594"
                        xFract="0.27213175"
                        y3="2.25495"
                        yFract="0.26250414"
                        z3="6.03769"
                        zFract="0.24550749"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.34051"
                        xFract="0.4396094"
                        y3="-0.04291"
                        yFract="-0.00499526"
                        z3="4.87005"
                        zFract="0.19802834"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.23453"
                        xFract="0.43088555"
                        y3="3.98665"
                        yFract="0.46409549"
                        z3="7.04203"
                        zFract="0.28634645"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="7.46047"
                        xFract="0.61411602"
                        y3="2.22214"
                        yFract="0.25868465"
                        z3="5.79222"
                        zFract="0.23552607"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="1.84223"
                        xFract="0.151645"
                        y3="4.01807"
                        yFract="0.46775317"
                        z3="7.23696"
                        zFract="0.29427279"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.01644"
                        xFract="0.82451324"
                        y3="5.95296"
                        yFract="0.69299835"
                        z3="5.81175"
                        zFract="0.23632021"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="11.3391"
                        xFract="0.93338932"
                        y3="8.56842"
                        yFract="0.99747033"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="0.70933"
                        xFract="0.05838921"
                        y3="6.42088"
                        yFract="0.74747004"
                        z3="3.51854"
                        zFract="0.14307259"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.18948"
                        xFract="0.34486122"
                        y3="7.54071"
                        yFract="0.87783214"
                        z3="7.32894"
                        zFract="0.29801292"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="1.65892"
                        xFract="0.13655565"
                        y3="0.48762"
                        yFract="0.05676501"
                        z3="7.44005"
                        zFract="0.30253093"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="6.18974"
                        xFract="0.50951462"
                        y3="0.29794"
                        yFract="0.03468391"
                        z3="7.36128"
                        zFract="0.29932795"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.09516"
                        xFract="0.17246518"
                        y3="6.61241"
                        yFract="0.76976651"
                        z3="7.75565"
                        zFract="0.31536401"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="5.85907"
                        xFract="0.48229519"
                        y3="6.00119"
                        yFract="0.69861292"
                        z3="5.74086"
                        zFract="0.23343764"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.06775"
                        xFract="0.3348409"
                        y3="1.2277"
                        yFract="0.1429195"
                        z3="8.14327"
                        zFract="0.33112561"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="-0.23743"
                        xFract="-0.01954429"
                        y3="2.17734"
                        yFract="0.25346937"
                        z3="8.14578"
                        zFract="0.33122767"/>
                  <atom elementType="O"
                        id="a49"
                        x3="6.78348"
                        xFract="0.55838892"
                        y3="5.34711"
                        yFract="0.6224699"
                        z3="2.0000"
                        zFract="0.08132497"/>
                  <atom elementType="O"
                        id="a50"
                        x3="9.85863"
                        xFract="0.81152295"
                        y3="7.31488"
                        yFract="0.85154273"
                        z3="7.25738"
                        zFract="0.29510312"/>
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                        id="a51"
                        x3="6.95427"
                        xFract="0.57244767"
                        y3="7.53789"
                        yFract="0.87750386"
                        z3="5.03086"
                        zFract="0.20456728"/>
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                        x3="3.58028"
                        xFract="0.29471432"
                        y3="3.11406"
                        yFract="0.36251519"
                        z3="7.77786"
                        zFract="0.31626713"/>
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                        id="a53"
                        x3="0.70933"
                        xFract="0.05838921"
                        y3="1.05204"
                        yFract="0.1224705"
                        z3="2.0000"
                        zFract="0.08132497"/>
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                        id="a54"
                        x3="3.66304"
                        xFract="0.30152679"
                        y3="0.76591"
                        yFract="0.08916142"
                        z3="4.85083"
                        zFract="0.19724681"/>
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                        id="a55"
                        x3="0.35709"
                        xFract="0.02939422"
                        y3="7.55792"
                        yFract="0.8798356"
                        z3="5.03856"
                        zFract="0.20488038"/>
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               <bondArray>
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                  <bond atomRefs2="a1 a15" order="S"/>
                  <bond atomRefs2="a1 a53" order="S"/>
                  <bond atomRefs2="a3 a36" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a3 a27" order="S"/>
                  <bond atomRefs2="a3 a38" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a3 a30" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a46" order="S"/>
                  <bond atomRefs2="a3 a45" order="S"/>
                  <bond atomRefs2="a5 a39" order="S"/>
                  <bond atomRefs2="a6 a22" order="S"/>
                  <bond atomRefs2="a6 a21" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a7 a18" order="S"/>
                  <bond atomRefs2="a8 a29" order="S"/>
                  <bond atomRefs2="a8 a41" order="S"/>
                  <bond atomRefs2="a8 a38" order="S"/>
                  <bond atomRefs2="a8 a45" order="S"/>
                  <bond atomRefs2="a8 a55" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a42" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a10 a37" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a24" order="S"/>
                  <bond atomRefs2="a11 a21" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a46" order="S"/>
                  <bond atomRefs2="a12 a14" order="S"/>
                  <bond atomRefs2="a12 a37" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a24" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a44" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a38" order="S"/>
                  <bond atomRefs2="a15 a48" order="S"/>
                  <bond atomRefs2="a16 a37" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a17 a39" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a19 a49" order="S"/>
                  <bond atomRefs2="a21 a22" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a37" order="S"/>
                  <bond atomRefs2="a23 a44" order="S"/>
                  <bond atomRefs2="a24 a39" order="S"/>
                  <bond atomRefs2="a24 a50" order="S"/>
                  <bond atomRefs2="a26 a46" order="S"/>
                  <bond atomRefs2="a26 a51" order="S"/>
                  <bond atomRefs2="a26 a49" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a54" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a32" order="S"/>
                  <bond atomRefs2="a30 a36" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a31 a34" order="S"/>
                  <bond atomRefs2="a31 a54" order="S"/>
                  <bond atomRefs2="a33 a49" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a47" order="S"/>
                  <bond atomRefs2="a34 a52" order="S"/>
                  <bond atomRefs2="a34 a54" order="S"/>
                  <bond atomRefs2="a35 a44" order="S"/>
                  <bond atomRefs2="a35 a54" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a52" order="S"/>
                  <bond atomRefs2="a38 a45" order="S"/>
                  <bond atomRefs2="a38 a52" order="S"/>
                  <bond atomRefs2="a39 a50" order="S"/>
                  <bond atomRefs2="a41 a55" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a48" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a46 a51" order="S"/>
                  <bond atomRefs2="a47 a52" order="S"/>
               </bondArray>
               <formula concise="Cu48O7">
                  <atomArray count="48 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3162.2037999999993</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.7O">
                  <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/rA:55CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3OOO4O1O4O/rB:;;;;;s6;s3;;s7;;s9s11;s11;s11s12;s1;s12;s13s16;s6s7s16;s16;s17;s6s11s18;s6s21;s7s14s21s22;s11s12s13;;;s3;;s1s3s8;s3;s30;s29;s30;s29s31;;s3s12s30;s7s10s12s14s16s21s23;s3s8s15s34;s5s13s16s17s24;;s8;s3s9;s15s28;s14s23s35;s3s8s38s42;s3s9s12s26s30s36;s34s43s44;s15s43;s19s26s33;s24s39;s26s46;s34s36s38s47;s1;s28s31s34s35;s8s41;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
