<?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">2022-08-03T19:28:12.000</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="1.06273594"
                        xFract="0.12371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="7.50534864"
                        xFract="0.87371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="2.09237343"
                        yFract="0.24357821"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="6.29507508"
                        zFract="0.21849208"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.35781107"
                        xFract="0.62371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="4.14753768"
                        zFract="0.14395446"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="1.99999999"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="6.38744856"
                        yFract="0.74357821"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="8.53498613"
                        yFract="0.99357821"
                        z3="8.44261278"
                        zFract="0.29302971"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.21027351"
                        xFract="0.37371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="12.73768788"
                        zFract="0.44210496"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="1.06273594"
                        xFract="0.12371564"
                        y3="4.23991099"
                        yFract="0.49357821"
                        z3="10.59015018"
                        zFract="0.36756733"/>
                  <atom elementType="O"
                        id="a49"
                        x3="4.28404229"
                        xFract="0.49871564"
                        y3="5.31367978"
                        yFract="0.61857821"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="O"
                        id="a50"
                        x3="4.28404229"
                        xFract="0.49871564"
                        y3="1.01860464"
                        yFract="0.11857821"
                        z3="9.51638148"
                        zFract="0.33029852"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.28404229"
                        xFract="0.49871564"
                        y3="1.01860464"
                        yFract="0.11857821"
                        z3="5.22130638"
                        zFract="0.18122327"/>
                  <atom elementType="O"
                        id="a52"
                        x3="2.13650472"
                        xFract="0.24871564"
                        y3="3.16614221"
                        yFract="0.36857821"
                        z3="3.07376869"
                        zFract="0.10668564"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a52" order="S"/>
                  <bond atomRefs2="a16 a50" order="S"/>
                  <bond atomRefs2="a20 a51" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a32 a52" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a35 a49" order="S"/>
                  <bond atomRefs2="a38 a50" order="S"/>
                  <bond atomRefs2="a40 a49" order="S"/>
               </bondArray>
               <formula concise="Cu48O4">
                  <atomArray count="48 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3114.205599999999</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.4O">
                  <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/rA:52CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OOO4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s21s31s35s40;s16s38;s20s30;s1s31s32s33;/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">552.0000</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 4</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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               </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">-182.38028011</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-182.37411993</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-182.37720002</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.0475</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1399621E-01</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="1.06274"
                        xFract="0.12371611"
                        y3="4.23991"
                        yFract="0.49357809"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="1.06274"
                        xFract="0.12371611"
                        y3="6.38745"
                        yFract="0.74357838"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="0.94918"
                        xFract="0.11049632"
                        y3="8.5457"
                        yFract="0.99482544"
                        z3="5.49913"
                        zFract="0.19086609"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="7.50535"
                        xFract="0.8737158"
                        y3="6.38745"
                        yFract="0.74357838"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="7.50535"
                        xFract="0.8737158"
                        y3="8.53499"
                        yFract="0.99357866"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.55689"
                        xFract="0.87971569"
                        y3="6.35697"
                        yFract="0.74003013"
                        z3="5.55523"
                        zFract="0.19281323"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.63858"
                        xFract="0.65640062"
                        y3="6.34122"
                        yFract="0.73819663"
                        z3="7.11719"
                        zFract="0.24702639"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="7.46246"
                        xFract="0.86872287"
                        y3="-0.07846"
                        yFract="-0.00913372"
                        z3="7.00446"
                        zFract="0.24311371"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="5.07824"
                        xFract="0.5911701"
                        y3="-0.14505"
                        yFract="-0.01688562"
                        z3="8.39514"
                        zFract="0.29138201"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.35781"
                        xFract="0.62371552"
                        y3="4.23991"
                        yFract="0.49357809"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="7.13961"
                        xFract="0.83113913"
                        y3="4.19917"
                        yFract="0.48883545"
                        z3="9.75296"
                        zFract="0.33850979"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.58401"
                        xFract="0.8828728"
                        y3="2.0402"
                        yFract="0.23750458"
                        z3="8.63845"
                        zFract="0.29982691"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.42731"
                        xFract="0.63180618"
                        y3="2.14322"
                        yFract="0.24949738"
                        z3="9.72576"
                        zFract="0.33756572"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.13437"
                        xFract="0.59770433"
                        y3="4.21714"
                        yFract="0.49092738"
                        z3="8.34106"
                        zFract="0.28950497"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.52995"
                        xFract="0.87657954"
                        y3="4.18188"
                        yFract="0.48682268"
                        z3="7.20236"
                        zFract="0.2499825"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="5.74678"
                        xFract="0.66899645"
                        y3="2.01736"
                        yFract="0.23484572"
                        z3="7.04491"
                        zFract="0.24451766"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.56901"
                        xFract="0.88112661"
                        y3="2.11725"
                        yFract="0.24647415"
                        z3="5.4736"
                        zFract="0.18997998"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.50535"
                        xFract="0.8737158"
                        y3="4.23991"
                        yFract="0.49357809"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="7.50535"
                        xFract="0.8737158"
                        y3="2.09237"
                        yFract="0.24357781"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.35781"
                        xFract="0.62371552"
                        y3="2.09237"
                        yFract="0.24357781"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="5.64313"
                        xFract="0.6569303"
                        y3="4.07221"
                        yFract="0.47405573"
                        z3="5.73229"
                        zFract="0.1989587"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="5.43034"
                        xFract="0.63215891"
                        y3="6.35213"
                        yFract="0.73946669"
                        z3="9.66487"
                        zFract="0.33545232"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="7.67021"
                        xFract="0.89290755"
                        y3="6.36134"
                        yFract="0.74053885"
                        z3="8.60507"
                        zFract="0.29866834"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="7.05164"
                        xFract="0.82089833"
                        y3="-0.08441"
                        yFract="-0.00982637"
                        z3="9.74612"
                        zFract="0.33827238"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="3.21027"
                        xFract="0.37371523"
                        y3="6.38745"
                        yFract="0.74357838"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.35781"
                        xFract="0.62371552"
                        y3="8.53499"
                        yFract="0.99357866"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="3.21027"
                        xFract="0.37371523"
                        y3="8.53499"
                        yFract="0.99357866"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="0.98943"
                        xFract="0.11518192"
                        y3="6.52339"
                        yFract="0.75940348"
                        z3="7.09825"
                        zFract="0.24636901"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="0.84176"
                        xFract="0.0979913"
                        y3="2.12083"
                        yFract="0.24689091"
                        z3="7.08553"
                        zFract="0.24592752"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.9536"
                        xFract="0.34383566"
                        y3="2.48674"
                        yFract="0.28948737"
                        z3="6.02535"
                        zFract="0.20913035"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="3.21027"
                        xFract="0.37371523"
                        y3="4.23991"
                        yFract="0.49357809"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="3.21027"
                        xFract="0.37371523"
                        y3="2.09237"
                        yFract="0.24357781"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="1.06274"
                        xFract="0.12371611"
                        y3="2.09237"
                        yFract="0.24357781"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="0.91519"
                        xFract="0.10653946"
                        y3="4.31228"
                        yFract="0.50200286"
                        z3="5.69947"
                        zFract="0.19781957"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="2.98455"
                        xFract="0.34743863"
                        y3="6.7545"
                        yFract="0.78630755"
                        z3="5.77159"
                        zFract="0.20032274"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="0.92136"
                        xFract="0.10725773"
                        y3="1.92567"
                        yFract="0.22417186"
                        z3="10.08497"
                        zFract="0.35003333"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="2.83095"
                        xFract="0.32955768"
                        y3="4.5872"
                        yFract="0.53400696"
                        z3="7.24228"
                        zFract="0.25136806"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="2.85854"
                        xFract="0.3327695"
                        y3="2.68167"
                        yFract="0.31217964"
                        z3="8.88179"
                        zFract="0.30827286"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="5.48332"
                        xFract="0.63832644"
                        y3="-0.24464"
                        yFract="-0.02847913"
                        z3="5.65149"
                        zFract="0.19615426"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.35781"
                        xFract="0.62371552"
                        y3="6.38745"
                        yFract="0.74357838"
                        z3="4.14754"
                        zFract="0.14395454"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="1.06274"
                        xFract="0.12371611"
                        y3="8.53499"
                        yFract="0.99357866"
                        z3="2.0000"
                        zFract="0.06941683"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="2.79477"
                        xFract="0.32534588"
                        y3="0.04016"
                        yFract="0.00467512"
                        z3="9.82066"
                        zFract="0.34085955"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="3.35487"
                        xFract="0.39054846"
                        y3="6.69925"
                        yFract="0.77987576"
                        z3="8.32843"
                        zFract="0.28906661"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="1.32846"
                        xFract="0.15464922"
                        y3="6.47074"
                        yFract="0.75327437"
                        z3="9.69297"
                        zFract="0.33642763"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="0.65846"
                        xFract="0.07665291"
                        y3="-0.0045"
                        yFract="-0.00052386"
                        z3="8.62549"
                        zFract="0.29937709"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="2.68475"
                        xFract="0.31253819"
                        y3="0.16649"
                        yFract="0.0193815"
                        z3="7.18731"
                        zFract="0.24946014"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.27298"
                        xFract="0.38101545"
                        y3="4.86126"
                        yFract="0.56591094"
                        z3="9.85912"
                        zFract="0.34219443"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="0.88422"
                        xFract="0.10293417"
                        y3="4.18633"
                        yFract="0.48734072"
                        z3="8.78115"
                        zFract="0.3047798"/>
                  <atom elementType="O"
                        id="a49"
                        x3="4.20304"
                        xFract="0.48928597"
                        y3="5.29474"
                        yFract="0.61637339"
                        z3="5.27318"
                        zFract="0.18302372"/>
                  <atom elementType="O"
                        id="a50"
                        x3="4.03743"
                        xFract="0.47000691"
                        y3="1.48499"
                        yFract="0.17287125"
                        z3="7.91818"
                        zFract="0.27482748"/>
                  <atom elementType="O"
                        id="a51"
                        x3="4.15173"
                        xFract="0.48331285"
                        y3="1.16225"
                        yFract="0.13530031"
                        z3="5.22634"
                        zFract="0.18139798"/>
                  <atom elementType="O"
                        id="a52"
                        x3="2.1365"
                        xFract="0.24871509"
                        y3="3.16614"
                        yFract="0.36857795"
                        z3="3.07377"
                        zFract="0.10668569"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a52" order="S"/>
                  <bond atomRefs2="a2 a34" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a2 a35" order="S"/>
                  <bond atomRefs2="a3 a27" order="S"/>
                  <bond atomRefs2="a3 a28" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a40" order="S"/>
                  <bond atomRefs2="a6 a18" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a21" order="S"/>
                  <bond atomRefs2="a7 a43" order="S"/>
                  <bond atomRefs2="a7 a22" order="S"/>
                  <bond atomRefs2="a7 a23" order="S"/>
                  <bond atomRefs2="a7 a14" order="S"/>
                  <bond atomRefs2="a8 a17" order="S"/>
                  <bond atomRefs2="a8 a12" order="S"/>
                  <bond atomRefs2="a8 a39" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a16" order="S"/>
                  <bond atomRefs2="a9 a24" order="S"/>
                  <bond atomRefs2="a9 a50" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a14" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a12 a16" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a37" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a14 a47" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a16 a21" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a50" order="S"/>
                  <bond atomRefs2="a17 a20" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a18 a21" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a51" order="S"/>
                  <bond atomRefs2="a21 a49" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a37" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a28 a44" order="S"/>
                  <bond atomRefs2="a28 a35" order="S"/>
                  <bond atomRefs2="a29 a46" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a29 a45" order="S"/>
                  <bond atomRefs2="a29 a34" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a30 a46" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
                  <bond atomRefs2="a30 a51" order="S"/>
                  <bond atomRefs2="a31 a52" order="S"/>
                  <bond atomRefs2="a31 a49" order="S"/>
                  <bond atomRefs2="a32 a52" order="S"/>
                  <bond atomRefs2="a33 a52" order="S"/>
                  <bond atomRefs2="a34 a37" order="S"/>
                  <bond atomRefs2="a35 a37" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a35 a49" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
                  <bond atomRefs2="a36 a48" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a37 a48" order="S"/>
                  <bond atomRefs2="a37 a43" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a50" order="S"/>
                  <bond atomRefs2="a39 a51" order="S"/>
                  <bond atomRefs2="a40 a49" order="S"/>
                  <bond atomRefs2="a42 a46" order="S"/>
                  <bond atomRefs2="a42 a45" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a47" order="S"/>
                  <bond atomRefs2="a44 a47" order="S"/>
                  <bond atomRefs2="a44 a48" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a46 a50" order="S"/>
               </bondArray>
               <formula concise="Cu48O4">
                  <atomArray count="48 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3114.205599999999</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/48Cu.4O">
                  <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/rA:52CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O3O4/rB:;s2;;;s5;s6;;;;;s8s11;s9s11s12;s7s11s13;s11s12s14;s9s12s14;s8s16;s6s17;;s17;s7s14s15s16s18s20;s7s14;s7s11s15s22;s9s12;;;s3;s3;;s29;s30;;;s2s28s29;s2s27s28;;s14s28s30s34s35;s36s37;s8s16;s6;;s36;s7s22s28s35s37;s28s43;s29s36s42;s29s30s42s45;s14s22s37s38s43s44;s29s36s37s38s44;s21s31s35s40;s9s16s38s46;s20s30s39;s1s31s32s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
