<?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">2022-08-03T17:27:49.000</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="2.08488144"
                        xFract="0.24270605"
                        y3="2.11620955"
                        yFract="0.24635303"
                        z3="4.20109099"
                        zFract="0.48905908"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.37995658"
                        xFract="0.74270605"
                        y3="6.41128468"
                        yFract="0.74635303"
                        z3="4.20109099"
                        zFract="0.48905908"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.52749414"
                        xFract="0.99270605"
                        y3="6.41128468"
                        yFract="0.74635303"
                        z3="2.05355342"
                        zFract="0.23905908"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.52749414"
                        xFract="0.99270605"
                        y3="4.26374711"
                        yFract="0.49635303"
                        z3="4.20109099"
                        zFract="0.48905908"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.37995658"
                        xFract="0.74270605"
                        y3="4.26374711"
                        yFract="0.49635303"
                        z3="2.05355342"
                        zFract="0.23905908"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.52749414"
                        xFract="0.99270605"
                        y3="2.11620955"
                        yFract="0.24635303"
                        z3="2.05355342"
                        zFract="0.23905908"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.37995658"
                        xFract="0.74270605"
                        y3="2.11620955"
                        yFract="0.24635303"
                        z3="4.20109099"
                        zFract="0.48905908"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.37995658"
                        xFract="0.74270605"
                        y3="8.55882225"
                        yFract="0.99635303"
                        z3="2.05355342"
                        zFract="0.23905908"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.52749414"
                        xFract="0.99270605"
                        y3="8.55882225"
                        yFract="0.99635303"
                        z3="4.20109099"
                        zFract="0.48905908"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="4.23241901"
                        xFract="0.49270605"
                        y3="8.55882225"
                        yFract="0.99635303"
                        z3="8.49616612"
                        zFract="0.98905908"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.08488144"
                        xFract="0.24270605"
                        y3="8.55882225"
                        yFract="0.99635303"
                        z3="6.34862856"
                        zFract="0.73905908"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.23241901"
                        xFract="0.49270605"
                        y3="6.41128468"
                        yFract="0.74635303"
                        z3="6.34862856"
                        zFract="0.73905908"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.08488144"
                        xFract="0.24270605"
                        y3="6.41128468"
                        yFract="0.74635303"
                        z3="8.49616612"
                        zFract="0.98905908"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.52749414"
                        xFract="0.99270605"
                        y3="4.26374711"
                        yFract="0.49635303"
                        z3="8.49616612"
                        zFract="0.98905908"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.37995658"
                        xFract="0.74270605"
                        y3="4.26374711"
                        yFract="0.49635303"
                        z3="6.34862856"
                        zFract="0.73905908"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.23241901"
                        xFract="0.49270605"
                        y3="8.55882225"
                        yFract="0.99635303"
                        z3="4.20109099"
                        zFract="0.48905908"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.08488144"
                        xFract="0.24270605"
                        y3="8.55882225"
                        yFract="0.99635303"
                        z3="2.05355342"
                        zFract="0.23905908"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.23241901"
                        xFract="0.49270605"
                        y3="6.41128468"
                        yFract="0.74635303"
                        z3="2.05355342"
                        zFract="0.23905908"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="2.08488144"
                        xFract="0.24270605"
                        y3="6.41128468"
                        yFract="0.74635303"
                        z3="4.20109099"
                        zFract="0.48905908"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.37995658"
                        xFract="0.74270605"
                        y3="6.41128468"
                        yFract="0.74635303"
                        z3="8.49616612"
                        zFract="0.98905908"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.52749414"
                        xFract="0.99270605"
                        y3="6.41128468"
                        yFract="0.74635303"
                        z3="6.34862856"
                        zFract="0.73905908"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.23241901"
                        xFract="0.49270605"
                        y3="4.26374711"
                        yFract="0.49635303"
                        z3="8.49616612"
                        zFract="0.98905908"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.08488144"
                        xFract="0.24270605"
                        y3="4.26374711"
                        yFract="0.49635303"
                        z3="6.34862856"
                        zFract="0.73905908"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.23241901"
                        xFract="0.49270605"
                        y3="2.11620955"
                        yFract="0.24635303"
                        z3="6.34862856"
                        zFract="0.73905908"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.08488144"
                        xFract="0.24270605"
                        y3="2.11620955"
                        yFract="0.24635303"
                        z3="8.49616612"
                        zFract="0.98905908"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.37995658"
                        xFract="0.74270605"
                        y3="8.55882225"
                        yFract="0.99635303"
                        z3="6.34862856"
                        zFract="0.73905908"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="8.52749414"
                        xFract="0.99270605"
                        y3="8.55882225"
                        yFract="0.99635303"
                        z3="8.49616612"
                        zFract="0.98905908"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.23241901"
                        xFract="0.49270605"
                        y3="4.26374711"
                        yFract="0.49635303"
                        z3="4.20109099"
                        zFract="0.48905908"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.08488144"
                        xFract="0.24270605"
                        y3="4.26374711"
                        yFract="0.49635303"
                        z3="2.05355342"
                        zFract="0.23905908"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.23241901"
                        xFract="0.49270605"
                        y3="2.11620955"
                        yFract="0.24635303"
                        z3="2.05355342"
                        zFract="0.23905908"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.37995658"
                        xFract="0.74270605"
                        y3="2.11620955"
                        yFract="0.24635303"
                        z3="8.49616612"
                        zFract="0.98905908"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.52749414"
                        xFract="0.99270605"
                        y3="2.11620955"
                        yFract="0.24635303"
                        z3="6.34862856"
                        zFract="0.73905908"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.45372536"
                        xFract="0.86770605"
                        y3="7.48505347"
                        yFract="0.87135303"
                        z3="3.1273222"
                        zFract="0.36405908"/>
                  <atom elementType="O"
                        id="a34"
                        x3="5.30618779"
                        xFract="0.61770605"
                        y3="5.3375159"
                        yFract="0.62135303"
                        z3="0.97978464"
                        zFract="0.11405908"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.30618779"
                        xFract="0.61770605"
                        y3="1.04244076"
                        yFract="0.12135303"
                        z3="5.27485977"
                        zFract="0.61405908"/>
                  <atom elementType="O"
                        id="a36"
                        x3="1.01111266"
                        xFract="0.11770605"
                        y3="5.3375159"
                        yFract="0.62135303"
                        z3="5.27485977"
                        zFract="0.61405908"/>
                  <atom elementType="O"
                        id="a37"
                        x3="5.30618779"
                        xFract="0.61770605"
                        y3="1.04244076"
                        yFract="0.12135303"
                        z3="0.97978464"
                        zFract="0.11405908"/>
                  <atom elementType="O"
                        id="a38"
                        x3="7.45372536"
                        xFract="0.86770605"
                        y3="7.48505347"
                        yFract="0.87135303"
                        z3="7.42239734"
                        zFract="0.86405908"/>
                  <atom elementType="O"
                        id="a39"
                        x3="1.01111266"
                        xFract="0.11770605"
                        y3="5.3375159"
                        yFract="0.62135303"
                        z3="0.97978464"
                        zFract="0.11405908"/>
                  <atom elementType="O"
                        id="a40"
                        x3="3.15865022"
                        xFract="0.36770605"
                        y3="7.48505347"
                        yFract="0.87135303"
                        z3="3.1273222"
                        zFract="0.36405908"/>
                  <atom elementType="O"
                        id="a41"
                        x3="3.15865022"
                        xFract="0.36770605"
                        y3="3.18997833"
                        yFract="0.37135303"
                        z3="7.42239734"
                        zFract="0.86405908"/>
                  <atom elementType="O"
                        id="a42"
                        x3="5.30618779"
                        xFract="0.61770605"
                        y3="5.3375159"
                        yFract="0.62135303"
                        z3="5.27485977"
                        zFract="0.61405908"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a40" order="S"/>
                  <bond atomRefs2="a17 a40" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a18 a40" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a19 a40" order="S"/>
                  <bond atomRefs2="a20 a38" order="S"/>
                  <bond atomRefs2="a21 a38" order="S"/>
                  <bond atomRefs2="a22 a41" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a41" order="S"/>
                  <bond atomRefs2="a25 a41" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a38" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a39" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
               </bondArray>
               <formula concise="Cu32O10">
                  <atomArray count="32 10" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2193.4660000000026</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.10O">
                  <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/rA:42CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OOOO1O4O1O4O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s2s3s8s9;s5s18;s7s24;s19s23;s30;s20s21s26s27;s29;s16s17s18s19;s22s23s24s25;s2s12s15s28;/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">412.0000</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 10</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="36">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</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-181.22027602</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-181.22027602</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-181.22027602</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">2.8288</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.9898728E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.288503798109273</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.168838380852252</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">7.784597638505037</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.44</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">89.73</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">88.9</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.00095"
                        xFract="0.23803459"
                        y3="1.98055"
                        yFract="0.24208595"
                        z3="3.79581"
                        zFract="0.48793197"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.15349"
                        xFract="0.73427489"
                        y3="6.05008"
                        yFract="0.73563352"
                        z3="3.9210"
                        zFract="0.50464188"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="0.07621"
                        xFract="0.0015216"
                        y3="6.07611"
                        yFract="0.74474922"
                        z3="1.80655"
                        zFract="0.2348898"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="0.05946"
                        xFract="0.00182255"
                        y3="3.65232"
                        yFract="0.44894796"
                        z3="3.68734"
                        zFract="0.47537411"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.7043"
                        xFract="0.80395881"
                        y3="3.78863"
                        yFract="0.45714357"
                        z3="1.96994"
                        zFract="0.25277779"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="0.10394"
                        xFract="0.00969463"
                        y3="1.97066"
                        yFract="0.24208245"
                        z3="1.84716"
                        zFract="0.23818014"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.67424"
                        xFract="0.80185534"
                        y3="2.08341"
                        yFract="0.24925126"
                        z3="3.67998"
                        zFract="0.47166687"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.21161"
                        xFract="0.74882401"
                        y3="0.15187"
                        yFract="0.01238611"
                        z3="1.86364"
                        zFract="0.23757424"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="0.22298"
                        xFract="0.02554771"
                        y3="0.19902"
                        yFract="0.02608523"
                        z3="3.95516"
                        zFract="0.5081155"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="3.93832"
                        xFract="0.46349742"
                        y3="8.14384"
                        yFract="0.9963109"
                        z3="7.48681"
                        zFract="0.96437339"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.02459"
                        xFract="0.24258537"
                        y3="0.06821"
                        yFract="0.00889529"
                        z3="5.75091"
                        zFract="0.7381889"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.96898"
                        xFract="0.46983303"
                        y3="6.3077"
                        yFract="0.77063682"
                        z3="5.82586"
                        zFract="0.75013588"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.16755"
                        xFract="0.25182947"
                        y3="6.43747"
                        yFract="0.7894362"
                        z3="7.50991"
                        zFract="0.96708678"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.23197"
                        xFract="0.98662904"
                        y3="3.84998"
                        yFract="0.46570272"
                        z3="7.58602"
                        zFract="0.97379525"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.41672"
                        xFract="0.76807467"
                        y3="3.86197"
                        yFract="0.46837954"
                        z3="5.82845"
                        zFract="0.74857524"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.96647"
                        xFract="0.4774677"
                        y3="0.06964"
                        yFract="0.00584738"
                        z3="3.76489"
                        zFract="0.4824643"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="1.83836"
                        xFract="0.22104438"
                        y3="0.25445"
                        yFract="0.02989137"
                        z3="1.70325"
                        zFract="0.2183593"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.13869"
                        xFract="0.49181665"
                        y3="5.98125"
                        yFract="0.72850413"
                        z3="1.88244"
                        zFract="0.24334855"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="2.01027"
                        xFract="0.23419224"
                        y3="6.18659"
                        yFract="0.75706368"
                        z3="3.83072"
                        zFract="0.49437877"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.20811"
                        xFract="0.74197426"
                        y3="6.04677"
                        yFract="0.73322504"
                        z3="0.03358"
                        zFract="0.00523474"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.19858"
                        xFract="0.98022886"
                        y3="6.27579"
                        yFract="0.76189085"
                        z3="5.86935"
                        zFract="0.75441058"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.18621"
                        xFract="0.50042554"
                        y3="3.99062"
                        yFract="0.4837958"
                        z3="0.02171"
                        zFract="0.00336939"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.91414"
                        xFract="0.22463834"
                        y3="4.00651"
                        yFract="0.49117343"
                        z3="5.67324"
                        zFract="0.73008501"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.04638"
                        xFract="0.48426325"
                        y3="2.03593"
                        yFract="0.24743053"
                        z3="5.62834"
                        zFract="0.72274243"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.80812"
                        xFract="0.21590293"
                        y3="1.93186"
                        yFract="0.23445071"
                        z3="-0.00143"
                        zFract="0.00016429"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.16669"
                        xFract="0.74228484"
                        y3="0.15782"
                        yFract="0.01511924"
                        z3="5.77623"
                        zFract="0.74021305"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="0.13369"
                        xFract="0.01582087"
                        y3="0.26746"
                        yFract="0.03258574"
                        z3="-0.01477"
                        zFract="-0.00181344"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="3.77999"
                        xFract="0.45046862"
                        y3="3.89965"
                        yFract="0.4749638"
                        z3="3.70625"
                        zFract="0.47677779"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.04275"
                        xFract="0.2414312"
                        y3="3.82509"
                        yFract="0.46695106"
                        z3="1.94253"
                        zFract="0.25070337"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.76545"
                        xFract="0.45133813"
                        y3="2.09548"
                        yFract="0.2532108"
                        z3="1.95487"
                        zFract="0.25095218"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.49907"
                        xFract="0.77954107"
                        y3="2.12831"
                        yFract="0.25692473"
                        z3="7.63618"
                        zFract="0.97996608"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="0.05306"
                        xFract="0.0024434"
                        y3="1.97322"
                        yFract="0.24440189"
                        z3="5.74879"
                        zFract="0.73941124"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.31183"
                        xFract="0.87295107"
                        y3="7.20759"
                        yFract="0.87555315"
                        z3="2.9791"
                        zFract="0.38382829"/>
                  <atom elementType="O"
                        id="a34"
                        x3="5.36577"
                        xFract="0.64143703"
                        y3="4.84224"
                        yFract="0.58726797"
                        z3="1.14106"
                        zFract="0.14720032"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.24453"
                        xFract="0.63018804"
                        y3="1.15525"
                        yFract="0.13768132"
                        z3="4.53595"
                        zFract="0.58163203"/>
                  <atom elementType="O"
                        id="a36"
                        x3="0.80589"
                        xFract="0.0898932"
                        y3="5.10616"
                        yFract="0.62659311"
                        z3="4.69004"
                        zFract="0.60463404"/>
                  <atom elementType="O"
                        id="a37"
                        x3="5.03638"
                        xFract="0.60613682"
                        y3="1.15424"
                        yFract="0.13592733"
                        z3="0.79058"
                        zFract="0.1005547"/>
                  <atom elementType="O"
                        id="a38"
                        x3="7.18587"
                        xFract="0.85646589"
                        y3="7.33441"
                        yFract="0.89322173"
                        z3="6.97878"
                        zFract="0.89773624"/>
                  <atom elementType="O"
                        id="a39"
                        x3="1.17046"
                        xFract="0.13507359"
                        y3="5.06488"
                        yFract="0.6191168"
                        z3="0.67695"
                        zFract="0.08897018"/>
                  <atom elementType="O"
                        id="a40"
                        x3="2.99827"
                        xFract="0.35257343"
                        y3="7.18215"
                        yFract="0.8772303"
                        z3="2.64792"
                        zFract="0.34259507"/>
                  <atom elementType="O"
                        id="a41"
                        x3="3.0125"
                        xFract="0.3580107"
                        y3="3.02934"
                        yFract="0.37082263"
                        z3="6.77973"
                        zFract="0.87143441"/>
                  <atom elementType="O"
                        id="a42"
                        x3="5.01246"
                        xFract="0.59765763"
                        y3="4.91344"
                        yFract="0.5982584"
                        z3="4.88125"
                        zFract="0.62781721"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a28" order="S"/>
                  <bond atomRefs2="a1 a29" order="S"/>
                  <bond atomRefs2="a1 a4" order="S"/>
                  <bond atomRefs2="a1 a30" order="S"/>
                  <bond atomRefs2="a1 a9" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a3 a39" order="S"/>
                  <bond atomRefs2="a4 a32" order="S"/>
                  <bond atomRefs2="a4 a29" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a4 a36" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a6 a29" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a25" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a8 a37" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a32" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a15 a31" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a35" order="S"/>
                  <bond atomRefs2="a17 a30" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a18 a40" order="S"/>
                  <bond atomRefs2="a19 a40" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a20 a34" order="S"/>
                  <bond atomRefs2="a21 a38" order="S"/>
                  <bond atomRefs2="a22 a34" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a23 a41" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a24 a41" order="S"/>
                  <bond atomRefs2="a25 a27" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a39" order="S"/>
                  <bond atomRefs2="a30 a37" order="S"/>
               </bondArray>
               <formula concise="Cu32O10">
                  <atomArray count="32 10" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2193.4660000000026</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.10O">
                  <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/rA:42CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O4O4O3OO1OOOO4/rB:;;s1;;s4;s5;;s1;;s9;s10;s10s12;;s14;;s6;;;;;;;;s6s17;;s6s17s25;s1;s1s4s6s28;s1s17s28s29;s14s15;s4s9;s2;s5s18s20s22;s7s16s24s26;s4s19s23;s8s30;s21;s3s29;s18s19;s23s24;s2s12s15s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
