<?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">2022-08-03T19:13:10.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</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="2.09293454"
                        xFract="0.24364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="8.53554724"
                        xFract="0.99364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="2.09293454"
                        yFract="0.24364353"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="7.36884379"
                        zFract="0.25576089"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.38800967"
                        xFract="0.74364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="3.07376869"
                        zFract="0.10668564"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="6.38800967"
                        yFract="0.74364353"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="8.53554724"
                        yFract="0.99364353"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.2404721"
                        xFract="0.49364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="13.81145658"
                        zFract="0.47937377"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="2.09293454"
                        xFract="0.24364353"
                        y3="4.2404721"
                        yFract="0.49364353"
                        z3="11.66391917"
                        zFract="0.40483615"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.31424089"
                        xFract="0.61864353"
                        y3="5.31424089"
                        yFract="0.61864353"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a50"
                        x3="3.16670332"
                        xFract="0.36864353"
                        y3="3.16670332"
                        yFract="0.36864353"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="O"
                        id="a51"
                        x3="3.16670332"
                        xFract="0.36864353"
                        y3="3.16670332"
                        yFract="0.36864353"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="O"
                        id="a52"
                        x3="1.01916575"
                        xFract="0.11864353"
                        y3="1.01916575"
                        yFract="0.11864353"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a53"
                        x3="3.16670332"
                        xFract="0.36864353"
                        y3="7.46177845"
                        yFract="0.86864353"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="O"
                        id="a54"
                        x3="5.31424089"
                        xFract="0.61864353"
                        y3="1.01916575"
                        yFract="0.11864353"
                        z3="1.99999999"
                        zFract="0.06941683"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a34 a51" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a38 a50" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a48 a50" order="S"/>
               </bondArray>
               <formula concise="Cu48O6">
                  <atomArray count="48 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3146.204399999999</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.6O">
                  <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/rA:54CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4O4O1O4O1/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s10s25;s36s38s47s48;s29s30s34s37;s29;s2s25s27s41;s32;/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">564.0000</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 6</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">4 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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0.045684 0.033473 0.046779 0.044588 -0.017118 -0.058429 0.018839 0.048313 0.371583 -0.384201 -1.428267 -0.019090 -0.017191 1.143431</matrix>
               </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">-196.50122522</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-196.48883585</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-196.49503054</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.4039</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.8234039E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.811456621</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="2.09293"
                        xFract="0.243643"
                        y3="4.24047"
                        yFract="0.49364329"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="2.09293"
                        xFract="0.243643"
                        y3="6.38801"
                        yFract="0.74364357"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="2.14621"
                        xFract="0.24984545"
                        y3="8.51771"
                        yFract="0.99156705"
                        z3="6.66534"
                        zFract="0.23134339"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.53555"
                        xFract="0.99364385"
                        y3="6.38801"
                        yFract="0.74364357"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.53555"
                        xFract="0.99364385"
                        y3="8.53555"
                        yFract="0.99364385"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="-0.00692"
                        xFract="-0.00080557"
                        y3="6.33777"
                        yFract="0.73779501"
                        z3="6.44271"
                        zFract="0.22361625"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.5023"
                        xFract="0.75694834"
                        y3="6.35383"
                        yFract="0.73966459"
                        z3="7.92528"
                        zFract="0.27507391"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="8.31771"
                        xFract="0.96828457"
                        y3="8.29027"
                        yFract="0.96509022"
                        z3="7.85641"
                        zFract="0.27268354"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="6.3992"
                        xFract="0.74494622"
                        y3="8.33943"
                        yFract="0.97081305"
                        z3="9.44643"
                        zFract="0.32787061"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.38801"
                        xFract="0.74364357"
                        y3="4.24047"
                        yFract="0.49364329"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.40465"
                        xFract="0.97840547"
                        y3="4.40027"
                        yFract="0.51224599"
                        z3="10.88532"
                        zFract="0.37781221"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="-0.05904"
                        xFract="-0.00687299"
                        y3="2.39176"
                        yFract="0.27843052"
                        z3="9.47463"
                        zFract="0.32884939"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="6.57638"
                        xFract="0.76557217"
                        y3="1.76497"
                        yFract="0.20546439"
                        z3="10.72387"
                        zFract="0.37220853"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.52878"
                        xFract="0.76003094"
                        y3="3.9440"
                        yFract="0.4591305"
                        z3="9.50696"
                        zFract="0.32997152"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="-0.07538"
                        xFract="-0.00877517"
                        y3="4.41058"
                        yFract="0.5134462"
                        z3="8.03018"
                        zFract="0.27871482"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="6.35276"
                        xFract="0.73954003"
                        y3="1.95487"
                        yFract="0.22757111"
                        z3="8.01165"
                        zFract="0.27807167"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="-0.08451"
                        xFract="-0.00983801"
                        y3="2.16357"
                        yFract="0.25186637"
                        z3="6.59358"
                        zFract="0.22885271"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.53555"
                        xFract="0.99364385"
                        y3="4.24047"
                        yFract="0.49364329"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="8.53555"
                        xFract="0.99364385"
                        y3="2.09293"
                        yFract="0.243643"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.38801"
                        xFract="0.74364357"
                        y3="2.09293"
                        yFract="0.243643"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="6.49217"
                        xFract="0.75576908"
                        y3="4.18785"
                        yFract="0.48751766"
                        z3="6.58357"
                        zFract="0.22850528"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="6.29189"
                        xFract="0.73245401"
                        y3="6.16744"
                        yFract="0.71796649"
                        z3="10.58429"
                        zFract="0.36736393"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.49504"
                        xFract="0.98892799"
                        y3="6.44115"
                        yFract="0.74982972"
                        z3="9.5424"
                        zFract="0.33120158"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="0.00865"
                        xFract="0.00100697"
                        y3="0.05775"
                        yFract="0.00672282"
                        z3="10.74445"
                        zFract="0.37292283"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="4.24047"
                        xFract="0.49364329"
                        y3="6.38801"
                        yFract="0.74364357"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.38801"
                        xFract="0.74364357"
                        y3="8.53555"
                        yFract="0.99364385"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="4.24047"
                        xFract="0.49364329"
                        y3="8.53555"
                        yFract="0.99364385"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="1.99738"
                        xFract="0.2325198"
                        y3="6.42365"
                        yFract="0.74779251"
                        z3="8.05453"
                        zFract="0.27955997"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.34664"
                        xFract="0.27317799"
                        y3="2.34098"
                        yFract="0.2725191"
                        z3="7.85194"
                        zFract="0.27252839"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.35842"
                        xFract="0.50737413"
                        y3="1.94646"
                        yFract="0.22659208"
                        z3="6.39298"
                        zFract="0.2218902"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.24047"
                        xFract="0.49364329"
                        y3="4.24047"
                        yFract="0.49364329"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="4.24047"
                        xFract="0.49364329"
                        y3="2.09293"
                        yFract="0.243643"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="2.09293"
                        xFract="0.243643"
                        y3="2.09293"
                        yFract="0.243643"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.86638"
                        xFract="0.21726977"
                        y3="4.42022"
                        yFract="0.51456841"
                        z3="6.52643"
                        zFract="0.22652204"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="4.2888"
                        xFract="0.4992695"
                        y3="6.58148"
                        yFract="0.76616588"
                        z3="6.7498"
                        zFract="0.23427486"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="1.75442"
                        xFract="0.20423624"
                        y3="1.86057"
                        yFract="0.21659342"
                        z3="11.05657"
                        zFract="0.38375602"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="4.63919"
                        xFract="0.54005924"
                        y3="4.67137"
                        yFract="0.54380539"
                        z3="8.25501"
                        zFract="0.28651831"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.37353"
                        xFract="0.50913312"
                        y3="2.20351"
                        yFract="0.25651589"
                        z3="9.63701"
                        zFract="0.33448534"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.31337"
                        xFract="0.73495455"
                        y3="-0.07319"
                        yFract="-0.00852022"
                        z3="6.48442"
                        zFract="0.22506394"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.38801"
                        xFract="0.74364357"
                        y3="6.38801"
                        yFract="0.74364357"
                        z3="5.22131"
                        zFract="0.1812234"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="2.09293"
                        xFract="0.243643"
                        y3="8.53555"
                        yFract="0.99364385"
                        z3="3.07377"
                        zFract="0.10668569"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="4.35654"
                        xFract="0.50715527"
                        y3="0.03804"
                        yFract="0.00442833"
                        z3="10.81334"
                        zFract="0.37531389"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="4.14206"
                        xFract="0.48218714"
                        y3="6.72238"
                        yFract="0.78256838"
                        z3="9.40695"
                        zFract="0.32650033"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="2.04354"
                        xFract="0.23789339"
                        y3="6.60962"
                        yFract="0.76944172"
                        z3="10.71246"
                        zFract="0.37181251"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="2.28664"
                        xFract="0.26619325"
                        y3="0.03445"
                        yFract="0.00401041"
                        z3="9.45037"
                        zFract="0.32800737"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.33881"
                        xFract="0.50509128"
                        y3="0.15795"
                        yFract="0.01838734"
                        z3="8.02791"
                        zFract="0.27863603"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.39412"
                        xFract="0.51153005"
                        y3="4.64823"
                        yFract="0.54111161"
                        z3="10.75739"
                        zFract="0.37337196"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="1.94166"
                        xFract="0.2260333"
                        y3="4.36707"
                        yFract="0.50838109"
                        z3="9.6241"
                        zFract="0.33403726"/>
                  <atom elementType="O"
                        id="a49"
                        x3="5.31424"
                        xFract="0.61864343"
                        y3="5.31424"
                        yFract="0.61864343"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="O"
                        id="a50"
                        x3="3.08973"
                        xFract="0.35968288"
                        y3="3.21854"
                        yFract="0.37467796"
                        z3="10.78486"
                        zFract="0.3743254"/>
                  <atom elementType="O"
                        id="a51"
                        x3="3.54746"
                        xFract="0.41296833"
                        y3="3.60488"
                        yFract="0.41965273"
                        z3="7.10924"
                        zFract="0.24675045"/>
                  <atom elementType="O"
                        id="a52"
                        x3="0.98254"
                        xFract="0.11437984"
                        y3="1.14617"
                        yFract="0.1334284"
                        z3="8.31383"
                        zFract="0.28855986"/>
                  <atom elementType="O"
                        id="a53"
                        x3="3.1667"
                        xFract="0.36864314"
                        y3="7.46178"
                        yFract="0.86864371"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="O"
                        id="a54"
                        x3="5.31424"
                        xFract="0.61864343"
                        y3="1.01917"
                        yFract="0.11864402"
                        z3="2.0000"
                        zFract="0.06941683"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a35" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a2 a53" order="S"/>
                  <bond atomRefs2="a3 a27" order="S"/>
                  <bond atomRefs2="a3 a28" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a6 a34" order="S"/>
                  <bond atomRefs2="a6 a28" order="S"/>
                  <bond atomRefs2="a6 a15" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a8 a23" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a22" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a36" order="S"/>
                  <bond atomRefs2="a12 a52" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a13 a38" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a15 a48" order="S"/>
                  <bond atomRefs2="a15 a34" order="S"/>
                  <bond atomRefs2="a16 a21" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a30" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a17 a33" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a20 a39" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a30" order="S"/>
                  <bond atomRefs2="a21 a31" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a24 a45" order="S"/>
                  <bond atomRefs2="a24 a36" order="S"/>
                  <bond atomRefs2="a25 a49" order="S"/>
                  <bond atomRefs2="a25 a53" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a27 a53" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a29 a33" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a51" order="S"/>
                  <bond atomRefs2="a29 a52" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a33" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a31 a51" order="S"/>
                  <bond atomRefs2="a32 a54" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a51" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a40" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a50" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a37 a51" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a46" order="S"/>
                  <bond atomRefs2="a38 a42" order="S"/>
                  <bond atomRefs2="a38 a50" order="S"/>
                  <bond atomRefs2="a39 a46" order="S"/>
                  <bond atomRefs2="a41 a53" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a52" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a48 a50" order="S"/>
               </bondArray>
               <formula concise="Cu48O6">
                  <atomArray count="48 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3146.204399999999</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.6O">
                  <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/rA:54CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO4O5O3O4O1/rB:;s2;;;s2;;s5s7;s7s8;;;;;s11s13;s6s12;s14;s15;;;;s7s16s18s20;s7s9s14;s7s8s11s22;s12;;;s3;s3s6;;s16s20s29;s21s30;;s17s29s30;s2s6s15s28s29s33;s2s7s27s28;s12s24;s7s14s21s35;s13s16;s16s20;s21s35;;s38;s22s28s35s37;s28s43;s24s36s42;s30s38s39s45;s14s22s37s38s43;s15s28s44;s10s25;s36s38s47s48;s29s30s31s34s37;s12s29s45;s2s25s27s41;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
