<?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">2022-08-03T17:27:50.000</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">8.59015027</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="2.13115667"
                        xFract="0.24809306"
                        y3="1.09014968"
                        yFract="0.12690694"
                        z3="4.37697973"
                        zFract="0.50953471"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.4262318"
                        xFract="0.74809306"
                        y3="5.38522482"
                        yFract="0.62690694"
                        z3="4.37697973"
                        zFract="0.50953471"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.57376937"
                        xFract="0.99809306"
                        y3="5.38522482"
                        yFract="0.62690694"
                        z3="2.22944216"
                        zFract="0.25953471"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.57376937"
                        xFract="0.99809306"
                        y3="3.23768725"
                        yFract="0.37690694"
                        z3="4.37697973"
                        zFract="0.50953471"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.4262318"
                        xFract="0.74809306"
                        y3="3.23768725"
                        yFract="0.37690694"
                        z3="2.22944216"
                        zFract="0.25953471"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.57376937"
                        xFract="0.99809306"
                        y3="1.09014968"
                        yFract="0.12690694"
                        z3="2.22944216"
                        zFract="0.25953471"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.4262318"
                        xFract="0.74809306"
                        y3="1.09014968"
                        yFract="0.12690694"
                        z3="4.37697973"
                        zFract="0.50953471"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.4262318"
                        xFract="0.74809306"
                        y3="7.53276239"
                        yFract="0.87690694"
                        z3="2.22944216"
                        zFract="0.25953471"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.57376937"
                        xFract="0.99809306"
                        y3="7.53276239"
                        yFract="0.87690694"
                        z3="4.37697973"
                        zFract="0.50953471"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="4.27869423"
                        xFract="0.49809306"
                        y3="7.53276239"
                        yFract="0.87690694"
                        z3="0.08190459"
                        zFract="0.00953471"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.13115667"
                        xFract="0.24809306"
                        y3="7.53276239"
                        yFract="0.87690694"
                        z3="6.52451729"
                        zFract="0.75953471"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.27869423"
                        xFract="0.49809306"
                        y3="5.38522482"
                        yFract="0.62690694"
                        z3="6.52451729"
                        zFract="0.75953471"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.13115667"
                        xFract="0.24809306"
                        y3="5.38522482"
                        yFract="0.62690694"
                        z3="0.08190459"
                        zFract="0.00953471"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.57376937"
                        xFract="0.99809306"
                        y3="3.23768725"
                        yFract="0.37690694"
                        z3="0.08190459"
                        zFract="0.00953471"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.4262318"
                        xFract="0.74809306"
                        y3="3.23768725"
                        yFract="0.37690694"
                        z3="6.52451729"
                        zFract="0.75953471"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.27869423"
                        xFract="0.49809306"
                        y3="7.53276239"
                        yFract="0.87690694"
                        z3="4.37697973"
                        zFract="0.50953471"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.13115667"
                        xFract="0.24809306"
                        y3="7.53276239"
                        yFract="0.87690694"
                        z3="2.22944216"
                        zFract="0.25953471"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.27869423"
                        xFract="0.49809306"
                        y3="5.38522482"
                        yFract="0.62690694"
                        z3="2.22944216"
                        zFract="0.25953471"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="2.13115667"
                        xFract="0.24809306"
                        y3="5.38522482"
                        yFract="0.62690694"
                        z3="4.37697973"
                        zFract="0.50953471"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.4262318"
                        xFract="0.74809306"
                        y3="5.38522482"
                        yFract="0.62690694"
                        z3="0.08190459"
                        zFract="0.00953471"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.57376937"
                        xFract="0.99809306"
                        y3="5.38522482"
                        yFract="0.62690694"
                        z3="6.52451729"
                        zFract="0.75953471"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.27869423"
                        xFract="0.49809306"
                        y3="3.23768725"
                        yFract="0.37690694"
                        z3="0.08190459"
                        zFract="0.00953471"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.13115667"
                        xFract="0.24809306"
                        y3="3.23768725"
                        yFract="0.37690694"
                        z3="6.52451729"
                        zFract="0.75953471"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.27869423"
                        xFract="0.49809306"
                        y3="1.09014968"
                        yFract="0.12690694"
                        z3="6.52451729"
                        zFract="0.75953471"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.13115667"
                        xFract="0.24809306"
                        y3="1.09014968"
                        yFract="0.12690694"
                        z3="0.08190459"
                        zFract="0.00953471"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.4262318"
                        xFract="0.74809306"
                        y3="7.53276239"
                        yFract="0.87690694"
                        z3="6.52451729"
                        zFract="0.75953471"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="8.57376937"
                        xFract="0.99809306"
                        y3="7.53276239"
                        yFract="0.87690694"
                        z3="0.08190459"
                        zFract="0.00953471"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.27869423"
                        xFract="0.49809306"
                        y3="3.23768725"
                        yFract="0.37690694"
                        z3="4.37697973"
                        zFract="0.50953471"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.13115667"
                        xFract="0.24809306"
                        y3="3.23768725"
                        yFract="0.37690694"
                        z3="2.22944216"
                        zFract="0.25953471"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.27869423"
                        xFract="0.49809306"
                        y3="1.09014968"
                        yFract="0.12690694"
                        z3="2.22944216"
                        zFract="0.25953471"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.4262318"
                        xFract="0.74809306"
                        y3="1.09014968"
                        yFract="0.12690694"
                        z3="0.08190459"
                        zFract="0.00953471"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.57376937"
                        xFract="0.99809306"
                        y3="1.09014968"
                        yFract="0.12690694"
                        z3="6.52451729"
                        zFract="0.75953471"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.50000059"
                        xFract="0.87309306"
                        y3="6.4589936"
                        yFract="0.75190694"
                        z3="7.59828608"
                        zFract="0.88453471"/>
                  <atom elementType="O"
                        id="a34"
                        x3="3.20492545"
                        xFract="0.37309306"
                        y3="6.4589936"
                        yFract="0.75190694"
                        z3="7.59828608"
                        zFract="0.88453471"/>
                  <atom elementType="O"
                        id="a35"
                        x3="1.05738788"
                        xFract="0.12309306"
                        y3="4.31145604"
                        yFract="0.50190694"
                        z3="1.15567338"
                        zFract="0.13453471"/>
                  <atom elementType="O"
                        id="a36"
                        x3="7.50000059"
                        xFract="0.87309306"
                        y3="2.16391847"
                        yFract="0.25190694"
                        z3="7.59828608"
                        zFract="0.88453471"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a11 a34" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a21 a33" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a32 a36" order="S"/>
               </bondArray>
               <formula concise="Cu32O4">
                  <atomArray count="32 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2097.4696000000017</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.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/rA:36CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOOOO/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s21s26;s11s12;s13s29;s15s32;/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">376.0000</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">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</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">32 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 4</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="24">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="5568">-16.1582 -16.0572 -15.8902 -15.2528 -5.0546 -4.0447 -3.6333 -3.6234 -3.5536 -3.3596 -3.2749 -2.9680 -2.8804 -2.7855 -2.4610 -2.4470 -2.1582 -2.1028 -2.0563 -2.0138 -1.8960 -1.7627 -1.4865 -1.4087 -1.3812 -1.2995 -1.2031 -1.1919 -1.0349 -1.0308 -0.9728 -0.9346 -0.8528 -0.8197 -0.7523 -0.7137 -0.7039 -0.6851 -0.6534 -0.5928 -0.5908 -0.4632 -0.4353 -0.4335 -0.3829 -0.3812 -0.3560 -0.3480 -0.2544 -0.2512 -0.2255 -0.2128 -0.1872 -0.1404 -0.1335 -0.1306 -0.1114 -0.0948 -0.0605 -0.0597 -0.0461 -0.0369 0.0242 0.0292 0.0492 0.0503 0.0631 0.0825 0.0931 0.1532 0.1605 0.1641 0.1905 0.2257 0.2398 0.2655 0.2710 0.2861 0.3160 0.3310 0.3417 0.3563 0.3839 0.4095 0.4201 0.4229 0.4582 0.4729 0.4957 0.5123 0.5130 0.5194 0.5433 0.5821 0.5905 0.6167 0.6395 0.6479 0.6569 0.6884 0.6957 0.7453 0.7720 0.7725 0.7918 0.8082 0.8199 0.8290 0.8476 0.8692 0.8796 0.8943 0.9275 0.9731 0.9766 0.9899 1.0268 1.0529 1.0534 1.0673 1.0850 1.1078 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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">-143.40398110</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-143.40012392</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-143.40205251</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">3.3555</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.6407107E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.4330498629867785</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">7.4330498629867785</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">7.872356948857246</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">88.64</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">91.36</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.97</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.8240"
                        xFract="0.25265049"
                        y3="1.02038"
                        yFract="0.13328721"
                        z3="3.96787"
                        zFract="0.505476"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.4770"
                        xFract="0.74823755"
                        y3="4.62554"
                        yFract="0.6225185"
                        z3="3.95822"
                        zFract="0.50432375"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.25134"
                        xFract="0.98448233"
                        y3="4.72499"
                        yFract="0.64051759"
                        z3="2.22022"
                        zFract="0.28605387"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="-0.05316"
                        xFract="0.0021239"
                        y3="2.84815"
                        yFract="0.37711236"
                        z3="4.01546"
                        zFract="0.50578794"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="5.43943"
                        xFract="0.73846889"
                        y3="2.84059"
                        yFract="0.3849998"
                        z3="2.1642"
                        zFract="0.27904715"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="-0.02361"
                        xFract="0.00127956"
                        y3="1.00062"
                        yFract="0.13128535"
                        z3="2.19573"
                        zFract="0.27744494"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.49328"
                        xFract="0.74616859"
                        y3="0.95619"
                        yFract="0.12892321"
                        z3="3.82886"
                        zFract="0.4935907"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.48782"
                        xFract="0.74918541"
                        y3="6.48851"
                        yFract="0.87581452"
                        z3="2.2727"
                        zFract="0.28726263"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="-0.08144"
                        xFract="0.00248129"
                        y3="6.56151"
                        yFract="0.87676245"
                        z3="4.04952"
                        zFract="0.50432368"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="3.60484"
                        xFract="0.49354614"
                        y3="6.66334"
                        yFract="0.89968466"
                        z3="0.68165"
                        zFract="0.08188825"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="1.75814"
                        xFract="0.25265128"
                        y3="6.60279"
                        yFract="0.88179564"
                        z3="5.72717"
                        zFract="0.72030133"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.69267"
                        xFract="0.51058961"
                        y3="4.45088"
                        yFract="0.59436225"
                        z3="5.71231"
                        zFract="0.7247393"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.04751"
                        xFract="0.28068951"
                        y3="4.76222"
                        yFract="0.64328392"
                        z3="-0.08593"
                        zFract="-0.01512261"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="-0.15594"
                        xFract="-0.01828404"
                        y3="2.55878"
                        yFract="0.3443117"
                        z3="-0.08593"
                        zFract="-0.01512263"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="5.43572"
                        xFract="0.74320436"
                        y3="2.78596"
                        yFract="0.37234852"
                        z3="5.63587"
                        zFract="0.7203014"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.58791"
                        xFract="0.49607658"
                        y3="6.54523"
                        yFract="0.87883141"
                        z3="3.92016"
                        zFract="0.49359063"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="1.70351"
                        xFract="0.23999999"
                        y3="6.59908"
                        yFract="0.88653111"
                        z3="2.2555"
                        zFract="0.27904707"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="3.60566"
                        xFract="0.49371451"
                        y3="4.62989"
                        yFract="0.62372031"
                        z3="2.19573"
                        zFract="0.27744494"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.75813"
                        xFract="0.24788751"
                        y3="4.65944"
                        yFract="0.62287597"
                        z3="4.01546"
                        zFract="0.50578794"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.34887"
                        xFract="0.72552226"
                        y3="4.57533"
                        yFract="0.62103584"
                        z3="0.40716"
                        zFract="0.05293892"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="-0.02984"
                        xFract="0.01001185"
                        y3="4.63612"
                        yFract="0.61498802"
                        z3="5.83156"
                        zFract="0.73384371"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.66332"
                        xFract="0.49614115"
                        y3="2.72426"
                        yFract="0.37055316"
                        z3="0.0825"
                        zFract="0.01193779"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.7722"
                        xFract="0.2506885"
                        y3="2.83408"
                        yFract="0.37431137"
                        z3="5.93542"
                        zFract="0.75262171"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.53154"
                        xFract="0.48546809"
                        y3="1.07474"
                        yFract="0.13953177"
                        z3="5.90954"
                        zFract="0.75478031"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.88202"
                        xFract="0.25444671"
                        y3="0.94296"
                        yFract="0.12885872"
                        z3="0.0825"
                        zFract="0.01193779"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.40174"
                        xFract="0.74275696"
                        y3="6.57459"
                        yFract="0.88224297"
                        z3="5.59057"
                        zFract="0.70862682"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="-0.03123"
                        xFract="0.00396395"
                        y3="6.68964"
                        yFract="0.89947773"
                        z3="0.49846"
                        zFract="0.05293885"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="3.58591"
                        xFract="0.491714"
                        y3="2.78228"
                        yFract="0.37234938"
                        z3="3.96787"
                        zFract="0.50547602"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.82839"
                        xFract="0.25244119"
                        y3="2.7779"
                        yFract="0.37256004"
                        z3="2.16756"
                        zFract="0.27398081"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.55894"
                        xFract="0.483415"
                        y3="1.04734"
                        yFract="0.14158486"
                        z3="2.16583"
                        zFract="0.27911923"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="5.37517"
                        xFract="0.72531534"
                        y3="0.93926"
                        yFract="0.13145366"
                        z3="0.59035"
                        zFract="0.08188832"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="0.1554"
                        xFract="0.03063761"
                        y3="0.91361"
                        yFract="0.11441026"
                        z3="5.71231"
                        zFract="0.7247393"/>
                  <atom elementType="O"
                        id="a33"
                        x3="6.34556"
                        xFract="0.87088219"
                        y3="5.63077"
                        yFract="0.75411773"
                        z3="7.00252"
                        zFract="0.89097795"/>
                  <atom elementType="O"
                        id="a34"
                        x3="3.21112"
                        xFract="0.44915661"
                        y3="5.93279"
                        yFract="0.79152839"
                        z3="6.84779"
                        zFract="0.86599496"/>
                  <atom elementType="O"
                        id="a35"
                        x3="0.7769"
                        xFract="0.11016119"
                        y3="3.82938"
                        yFract="0.51483868"
                        z3="0.8972"
                        zFract="0.10928939"/>
                  <atom elementType="O"
                        id="a36"
                        x3="6.10572"
                        xFract="0.83347161"
                        y3="1.33298"
                        yFract="0.17584318"
                        z3="6.75649"
                        zFract="0.86599503"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a23" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a6" order="S"/>
                  <bond atomRefs2="a1 a29" order="S"/>
                  <bond atomRefs2="a1 a30" order="S"/>
                  <bond atomRefs2="a1 a28" order="S"/>
                  <bond atomRefs2="a1 a32" order="S"/>
                  <bond atomRefs2="a2 a28" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a2 a5" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a12" order="S"/>
                  <bond atomRefs2="a2 a15" order="S"/>
                  <bond atomRefs2="a2 a3" order="S"/>
                  <bond atomRefs2="a3 a20" order="S"/>
                  <bond atomRefs2="a3 a5" order="S"/>
                  <bond atomRefs2="a3 a8" order="S"/>
                  <bond atomRefs2="a4 a23" order="S"/>
                  <bond atomRefs2="a4 a29" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a32" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a5 a30" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a20" order="S"/>
                  <bond atomRefs2="a5 a31" order="S"/>
                  <bond atomRefs2="a6 a29" order="S"/>
                  <bond atomRefs2="a7 a28" order="S"/>
                  <bond atomRefs2="a7 a15" order="S"/>
                  <bond atomRefs2="a7 a30" order="S"/>
                  <bond atomRefs2="a8 a20" order="S"/>
                  <bond atomRefs2="a8 a18" order="S"/>
                  <bond atomRefs2="a8 a16" order="S"/>
                  <bond atomRefs2="a8 a10" order="S"/>
                  <bond atomRefs2="a9 a19" order="S"/>
                  <bond atomRefs2="a9 a21" order="S"/>
                  <bond atomRefs2="a9 a17" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a11 a21" order="S"/>
                  <bond atomRefs2="a11 a19" order="S"/>
                  <bond atomRefs2="a11 a16" order="S"/>
                  <bond atomRefs2="a11 a34" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a28" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a34" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a35" order="S"/>
                  <bond atomRefs2="a14 a25" order="S"/>
                  <bond atomRefs2="a14 a35" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a28" order="S"/>
                  <bond atomRefs2="a15 a36" order="S"/>
                  <bond atomRefs2="a16 a19" order="S"/>
                  <bond atomRefs2="a16 a18" order="S"/>
                  <bond atomRefs2="a16 a17" order="S"/>
                  <bond atomRefs2="a16 a26" order="S"/>
                  <bond atomRefs2="a17 a19" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a18 a19" order="S"/>
                  <bond atomRefs2="a18 a29" order="S"/>
                  <bond atomRefs2="a18 a28" order="S"/>
                  <bond atomRefs2="a18 a20" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a29" order="S"/>
                  <bond atomRefs2="a19 a28" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a23 a32" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a25 a30" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a35" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
               </bondArray>
               <formula concise="Cu32O4">
                  <atomArray count="32 4" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2097.4696000000017</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.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/rA:36CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1OO3O1/rB:;s2;s1;s2s3;s1s4;s5;s2s3;;s8;s9;s2;s10;;s2s7s12;s8s11;s9s10s16;s2s5s8s10s16;s4s9s11s12s16s17s18;s3s5s8s18;s4s9s11s19;s13s20;s1s4s12s19s21;s1s15s23;s14s22;s2s16;s17;s1s2s5s7s12s15s18s19s23s24;s1s4s6s18s19s28;s1s5s7s22s25s28s29;s5s22s30;s1s4s23;s26;s11s12;s13s14s29;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
