<?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">2022-08-03T17:28:49.000</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="2.03626617"
                        xFract="0.23704663"
                        y3="2.06805798"
                        yFract="0.24074759"
                        z3="4.18380374"
                        zFract="0.48704663"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.33134131"
                        xFract="0.73704663"
                        y3="6.36313311"
                        yFract="0.74074759"
                        z3="4.18380374"
                        zFract="0.48704663"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.47887888"
                        xFract="0.98704663"
                        y3="6.36313311"
                        yFract="0.74074759"
                        z3="2.03626617"
                        zFract="0.23704663"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.47887888"
                        xFract="0.98704663"
                        y3="4.21559554"
                        yFract="0.49074759"
                        z3="4.18380374"
                        zFract="0.48704663"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.33134131"
                        xFract="0.73704663"
                        y3="4.21559554"
                        yFract="0.49074759"
                        z3="2.03626617"
                        zFract="0.23704663"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.47887888"
                        xFract="0.98704663"
                        y3="2.06805798"
                        yFract="0.24074759"
                        z3="2.03626617"
                        zFract="0.23704663"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.33134131"
                        xFract="0.73704663"
                        y3="2.06805798"
                        yFract="0.24074759"
                        z3="4.18380374"
                        zFract="0.48704663"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.33134131"
                        xFract="0.73704663"
                        y3="8.51067068"
                        yFract="0.99074759"
                        z3="2.03626617"
                        zFract="0.23704663"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.47887888"
                        xFract="0.98704663"
                        y3="8.51067068"
                        yFract="0.99074759"
                        z3="4.18380374"
                        zFract="0.48704663"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="4.18380374"
                        xFract="0.48704663"
                        y3="8.51067068"
                        yFract="0.99074759"
                        z3="8.47887888"
                        zFract="0.98704663"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.03626617"
                        xFract="0.23704663"
                        y3="8.51067068"
                        yFract="0.99074759"
                        z3="6.33134131"
                        zFract="0.73704663"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.18380374"
                        xFract="0.48704663"
                        y3="6.36313311"
                        yFract="0.74074759"
                        z3="6.33134131"
                        zFract="0.73704663"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.03626617"
                        xFract="0.23704663"
                        y3="6.36313311"
                        yFract="0.74074759"
                        z3="8.47887888"
                        zFract="0.98704663"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.47887888"
                        xFract="0.98704663"
                        y3="4.21559554"
                        yFract="0.49074759"
                        z3="8.47887888"
                        zFract="0.98704663"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.33134131"
                        xFract="0.73704663"
                        y3="4.21559554"
                        yFract="0.49074759"
                        z3="6.33134131"
                        zFract="0.73704663"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.18380374"
                        xFract="0.48704663"
                        y3="8.51067068"
                        yFract="0.99074759"
                        z3="4.18380374"
                        zFract="0.48704663"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.03626617"
                        xFract="0.23704663"
                        y3="8.51067068"
                        yFract="0.99074759"
                        z3="2.03626617"
                        zFract="0.23704663"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.18380374"
                        xFract="0.48704663"
                        y3="6.36313311"
                        yFract="0.74074759"
                        z3="2.03626617"
                        zFract="0.23704663"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="2.03626617"
                        xFract="0.23704663"
                        y3="6.36313311"
                        yFract="0.74074759"
                        z3="4.18380374"
                        zFract="0.48704663"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.33134131"
                        xFract="0.73704663"
                        y3="6.36313311"
                        yFract="0.74074759"
                        z3="8.47887888"
                        zFract="0.98704663"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.47887888"
                        xFract="0.98704663"
                        y3="6.36313311"
                        yFract="0.74074759"
                        z3="6.33134131"
                        zFract="0.73704663"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.18380374"
                        xFract="0.48704663"
                        y3="4.21559554"
                        yFract="0.49074759"
                        z3="8.47887888"
                        zFract="0.98704663"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.03626617"
                        xFract="0.23704663"
                        y3="4.21559554"
                        yFract="0.49074759"
                        z3="6.33134131"
                        zFract="0.73704663"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.18380374"
                        xFract="0.48704663"
                        y3="2.06805798"
                        yFract="0.24074759"
                        z3="6.33134131"
                        zFract="0.73704663"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.03626617"
                        xFract="0.23704663"
                        y3="2.06805798"
                        yFract="0.24074759"
                        z3="8.47887888"
                        zFract="0.98704663"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.33134131"
                        xFract="0.73704663"
                        y3="8.51067068"
                        yFract="0.99074759"
                        z3="6.33134131"
                        zFract="0.73704663"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="8.47887888"
                        xFract="0.98704663"
                        y3="8.51067068"
                        yFract="0.99074759"
                        z3="8.47887888"
                        zFract="0.98704663"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.18380374"
                        xFract="0.48704663"
                        y3="4.21559554"
                        yFract="0.49074759"
                        z3="4.18380374"
                        zFract="0.48704663"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.03626617"
                        xFract="0.23704663"
                        y3="4.21559554"
                        yFract="0.49074759"
                        z3="2.03626617"
                        zFract="0.23704663"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.18380374"
                        xFract="0.48704663"
                        y3="2.06805798"
                        yFract="0.24074759"
                        z3="2.03626617"
                        zFract="0.23704663"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.33134131"
                        xFract="0.73704663"
                        y3="2.06805798"
                        yFract="0.24074759"
                        z3="8.47887888"
                        zFract="0.98704663"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.47887888"
                        xFract="0.98704663"
                        y3="2.06805798"
                        yFract="0.24074759"
                        z3="6.33134131"
                        zFract="0.73704663"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.40511009"
                        xFract="0.86204663"
                        y3="7.43690189"
                        yFract="0.86574759"
                        z3="3.11003496"
                        zFract="0.36204663"/>
                  <atom elementType="O"
                        id="a34"
                        x3="0.96249739"
                        xFract="0.11204663"
                        y3="5.28936433"
                        yFract="0.61574759"
                        z3="5.25757252"
                        zFract="0.61204663"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.25757252"
                        xFract="0.61204663"
                        y3="0.99428919"
                        yFract="0.11574759"
                        z3="0.96249739"
                        zFract="0.11204663"/>
                  <atom elementType="O"
                        id="a36"
                        x3="3.11003496"
                        xFract="0.36204663"
                        y3="7.43690189"
                        yFract="0.86574759"
                        z3="3.11003496"
                        zFract="0.36204663"/>
                  <atom elementType="O"
                        id="a37"
                        x3="0.96249739"
                        xFract="0.11204663"
                        y3="0.99428919"
                        yFract="0.11574759"
                        z3="5.25757252"
                        zFract="0.61204663"/>
                  <atom elementType="O"
                        id="a38"
                        x3="0.96249739"
                        xFract="0.11204663"
                        y3="0.99428919"
                        yFract="0.11574759"
                        z3="0.96249739"
                        zFract="0.11204663"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.11003496"
                        xFract="0.36204663"
                        y3="3.14182676"
                        yFract="0.36574759"
                        z3="3.11003496"
                        zFract="0.36204663"/>
                  <atom elementType="O"
                        id="a40"
                        x3="5.25757252"
                        xFract="0.61204663"
                        y3="5.28936433"
                        yFract="0.61574759"
                        z3="5.25757252"
                        zFract="0.61204663"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a37" order="S"/>
                  <bond atomRefs2="a1 a39" order="S"/>
                  <bond atomRefs2="a2 a40" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a15 a40" order="S"/>
                  <bond atomRefs2="a16 a36" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a18 a36" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a29 a39" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a30 a39" order="S"/>
               </bondArray>
               <formula concise="Cu32O8">
                  <atomArray count="32 8" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2161.4672000000023</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.8O">
                  <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/rA:40CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OO1O4O1O0O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s2s3s8s9;s19s23;s30;s16s17s18s19;s1;;s1s28s29s30;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">400.0000</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 8</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">-167.87438775</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-167.87438310</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-167.87438543</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">3.0059</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.7879056E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.5672168457310915</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.079273567866036</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">8.062789545006419</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">89.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">89.6</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.94</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.81774"
                        xFract="0.24040468"
                        y3="2.00373"
                        yFract="0.24520616"
                        z3="4.36035"
                        zFract="0.53785241"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.80803"
                        xFract="0.77228711"
                        y3="6.07512"
                        yFract="0.75401252"
                        z3="3.87371"
                        zFract="0.47121389"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="-0.11652"
                        xFract="-0.01006794"
                        y3="5.7419"
                        yFract="0.70896951"
                        z3="1.59869"
                        zFract="0.19215398"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="7.23392"
                        xFract="0.95843594"
                        y3="3.78829"
                        yFract="0.47267027"
                        z3="3.64195"
                        zFract="0.44426862"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="5.5125"
                        xFract="0.73192281"
                        y3="3.9725"
                        yFract="0.49562657"
                        z3="1.83954"
                        zFract="0.22130073"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.25177"
                        xFract="0.95986058"
                        y3="2.15249"
                        yFract="0.27211291"
                        z3="1.87779"
                        zFract="0.22719661"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.54512"
                        xFract="0.73323494"
                        y3="1.95638"
                        yFract="0.24391274"
                        z3="3.80143"
                        zFract="0.46682402"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.7494"
                        xFract="0.76735"
                        y3="7.96208"
                        yFract="0.98958257"
                        z3="2.02681"
                        zFract="0.24010616"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="7.47357"
                        xFract="0.9858589"
                        y3="0.08883"
                        yFract="0.0140589"
                        z3="4.43704"
                        zFract="0.54678094"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="3.5819"
                        xFract="0.47796298"
                        y3="7.69694"
                        yFract="0.94797352"
                        z3="7.93663"
                        zFract="0.97448291"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="1.9415"
                        xFract="0.26198873"
                        y3="7.73607"
                        yFract="0.9530146"
                        z3="6.17093"
                        zFract="0.75618746"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.61531"
                        xFract="0.48140673"
                        y3="6.03932"
                        yFract="0.74469598"
                        z3="6.2047"
                        zFract="0.76142511"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="1.7649"
                        xFract="0.23595671"
                        y3="5.93068"
                        yFract="0.72737745"
                        z3="7.94116"
                        zFract="0.97780702"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="7.3701"
                        xFract="0.97475231"
                        y3="4.00661"
                        yFract="0.49514581"
                        z3="7.92253"
                        zFract="0.97494543"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="5.47094"
                        xFract="0.7245151"
                        y3="4.03941"
                        yFract="0.49898815"
                        z3="6.28489"
                        zFract="0.77266323"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.87464"
                        xFract="0.51030896"
                        y3="0.11707"
                        yFract="0.01391835"
                        z3="4.27094"
                        zFract="0.52783593"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="1.76478"
                        xFract="0.24078309"
                        y3="7.92617"
                        yFract="0.98115346"
                        z3="1.80377"
                        zFract="0.21434849"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="3.72025"
                        xFract="0.49698484"
                        y3="5.76712"
                        yFract="0.71601112"
                        z3="1.73715"
                        zFract="0.20750102"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.82051"
                        xFract="0.24508642"
                        y3="5.98496"
                        yFract="0.73838911"
                        z3="4.08363"
                        zFract="0.49922196"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.5324"
                        xFract="0.73384407"
                        y3="5.92562"
                        yFract="0.73064984"
                        z3="8.03136"
                        zFract="0.98723298"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.33211"
                        xFract="0.97258178"
                        y3="5.99287"
                        yFract="0.74286925"
                        z3="6.22313"
                        zFract="0.76201703"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.65582"
                        xFract="0.48389038"
                        y3="4.08861"
                        yFract="0.50123534"
                        z3="8.03257"
                        zFract="0.99024972"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.96553"
                        xFract="0.26121013"
                        y3="3.9911"
                        yFract="0.48938512"
                        z3="6.19609"
                        zFract="0.76334562"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.97328"
                        xFract="0.52455096"
                        y3="1.97433"
                        yFract="0.24210823"
                        z3="5.95111"
                        zFract="0.73419546"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.01024"
                        xFract="0.26451623"
                        y3="2.18454"
                        yFract="0.26405866"
                        z3="7.76518"
                        zFract="0.95991253"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.44869"
                        xFract="0.7256832"
                        y3="7.89703"
                        yFract="0.97665316"
                        z3="6.17993"
                        zFract="0.75548381"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="7.34131"
                        xFract="0.97483131"
                        y3="7.68732"
                        yFract="0.9508079"
                        z3="7.90371"
                        zFract="0.96864541"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="3.69255"
                        xFract="0.49043534"
                        y3="3.91498"
                        yFract="0.48438149"
                        z3="3.83804"
                        zFract="0.47011735"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="1.58534"
                        xFract="0.21308835"
                        y3="4.02355"
                        yFract="0.49813874"
                        z3="1.51201"
                        zFract="0.18246081"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.65553"
                        xFract="0.48432955"
                        y3="1.93989"
                        yFract="0.24195526"
                        z3="1.89756"
                        zFract="0.2315666"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="5.4793"
                        xFract="0.72306986"
                        y3="2.3411"
                        yFract="0.28687433"
                        z3="7.99081"
                        zFract="0.98610301"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="6.77007"
                        xFract="0.89427264"
                        y3="2.07187"
                        yFract="0.25710286"
                        z3="5.99538"
                        zFract="0.73826879"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.08841"
                        xFract="0.94297398"
                        y3="7.08816"
                        yFract="0.88176413"
                        z3="2.98188"
                        zFract="0.3588924"/>
                  <atom elementType="O"
                        id="a34"
                        x3="0.67408"
                        xFract="0.09193514"
                        y3="4.80883"
                        yFract="0.59059834"
                        z3="4.96703"
                        zFract="0.61061122"/>
                  <atom elementType="O"
                        id="a35"
                        x3="4.64786"
                        xFract="0.61472549"
                        y3="0.78019"
                        yFract="0.10058078"
                        z3="0.85551"
                        zFract="0.10309537"/>
                  <atom elementType="O"
                        id="a36"
                        x3="2.92234"
                        xFract="0.39230981"
                        y3="7.04789"
                        yFract="0.87232936"
                        z3="3.00796"
                        zFract="0.36412623"/>
                  <atom elementType="O"
                        id="a37"
                        x3="0.86925"
                        xFract="0.11356914"
                        y3="1.17867"
                        yFract="0.14056036"
                        z3="5.72453"
                        zFract="0.70840672"/>
                  <atom elementType="O"
                        id="a38"
                        x3="0.7395"
                        xFract="0.09846555"
                        y3="1.00748"
                        yFract="0.12469615"
                        z3="0.74238"
                        zFract="0.09065097"/>
                  <atom elementType="O"
                        id="a39"
                        x3="2.43964"
                        xFract="0.32423206"
                        y3="2.92954"
                        yFract="0.36210022"
                        z3="2.88502"
                        zFract="0.35355506"/>
                  <atom elementType="O"
                        id="a40"
                        x3="4.65443"
                        xFract="0.61831766"
                        y3="5.07802"
                        yFract="0.628233"
                        z3="4.88932"
                        zFract="0.59881272"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a37" order="S"/>
                  <bond atomRefs2="a1 a39" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a2 a40" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a6" order="S"/>
                  <bond atomRefs2="a5 a18" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a7 a30" order="S"/>
                  <bond atomRefs2="a7 a24" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a32" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a32" order="S"/>
                  <bond atomRefs2="a10 a20" order="S"/>
                  <bond atomRefs2="a10 a26" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a22" order="S"/>
                  <bond atomRefs2="a12 a20" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a13 a22" order="S"/>
                  <bond atomRefs2="a13 a23" order="S"/>
                  <bond atomRefs2="a14 a20" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a15 a24" order="S"/>
                  <bond atomRefs2="a15 a20" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a31" order="S"/>
                  <bond atomRefs2="a15 a32" order="S"/>
                  <bond atomRefs2="a15 a40" order="S"/>
                  <bond atomRefs2="a16 a24" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a18 a36" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a27" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a31" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a34" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a31" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a28 a39" order="S"/>
                  <bond atomRefs2="a28 a40" order="S"/>
                  <bond atomRefs2="a29 a39" order="S"/>
                  <bond atomRefs2="a30 a39" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
               </bondArray>
               <formula concise="Cu32O8">
                  <atomArray count="32 8" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2161.4672000000023</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.8O">
                  <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/rA:40CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOOO1O3O1O0O4O4/rB:;;;s4;s4s5;s4s6;s2;;;s10;s10s11;s10s11s12;;s14;s7;;s5;;s10s12s14s15;s14s20;s12s13s15s20;s12s13s22;s1s7s15s16;s22s23s24;s10s12s21;s20s21s26;;s3;s7;s14s15s22s24;s7s9s15s31;s2s8;s19s23;s30;s17s18s19;s1;;s1s28s29s30;s2s12s15s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
