<?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">2022-08-03T18:43:05.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.074153507</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.074153507141149</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.158932534</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.50686581"
                        xFract="0.27514021"
                        y3="1.44733965"
                        yFract="0.27514021"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.02540412"
                        xFract="0.44180687"
                        y3="2.32406815"
                        yFract="0.44180687"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.06248088"
                        xFract="0.94180687"
                        y3="2.32406815"
                        yFract="0.44180687"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.5439425"
                        xFract="0.44180687"
                        y3="4.95425378"
                        yFract="0.94180687"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.58101925"
                        xFract="0.94180687"
                        y3="4.95425378"
                        yFract="0.94180687"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.06248094"
                        xFract="0.77514021"
                        y3="4.07752527"
                        yFract="0.77514021"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="4.02540418"
                        xFract="0.27514021"
                        y3="4.07752527"
                        yFract="0.77514021"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.54394256"
                        xFract="0.77514021"
                        y3="1.44733965"
                        yFract="0.27514021"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="2.50686581"
                        xFract="0.27514021"
                        y3="1.44733965"
                        yFract="0.27514021"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.9883274"
                        xFract="0.10847354"
                        y3="0.57061109"
                        yFract="0.10847354"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.50686578"
                        xFract="0.10847354"
                        y3="3.20079671"
                        yFract="0.60847354"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.54394253"
                        xFract="0.60847354"
                        y3="3.20079671"
                        yFract="0.60847354"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="4.02540415"
                        xFract="0.60847354"
                        y3="0.57061109"
                        yFract="0.10847354"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.54394256"
                        xFract="0.77514021"
                        y3="1.44733965"
                        yFract="0.27514021"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.02540412"
                        xFract="0.44180687"
                        y3="2.32406815"
                        yFract="0.44180687"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.02540418"
                        xFract="0.27514021"
                        y3="4.07752527"
                        yFract="0.77514021"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.06248094"
                        xFract="0.77514021"
                        y3="4.07752527"
                        yFract="0.77514021"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.06248088"
                        xFract="0.94180687"
                        y3="2.32406815"
                        yFract="0.44180687"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="5.5439425"
                        xFract="0.44180687"
                        y3="4.95425378"
                        yFract="0.94180687"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.58101925"
                        xFract="0.94180687"
                        y3="4.95425378"
                        yFract="0.94180687"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.9883274"
                        xFract="0.10847354"
                        y3="0.57061109"
                        yFract="0.10847354"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a22"
                        x3="7.06248094"
                        xFract="0.77514021"
                        y3="4.07752527"
                        yFract="0.77514021"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="O"
                        id="a23"
                        x3="4.02540412"
                        xFract="0.44180687"
                        y3="2.32406815"
                        yFract="0.44180687"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="O"
                        id="a24"
                        x3="0.9883274"
                        xFract="0.10847354"
                        y3="0.57061109"
                        yFract="0.10847354"
                        z3="13.15893246"
                        zFract="0.46730935"/>
                  <atom elementType="O"
                        id="a25"
                        x3="4.02540412"
                        xFract="0.44180687"
                        y3="2.32406815"
                        yFract="0.44180687"
                        z3="10.67916985"
                        zFract="0.37924626"/>
                  <atom elementType="O"
                        id="a26"
                        x3="7.06248094"
                        xFract="0.77514021"
                        y3="4.07752527"
                        yFract="0.77514021"
                        z3="11.91905101"
                        zFract="0.4232778"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a21" order="S"/>
                  <bond atomRefs2="a2 a25" order="S"/>
                  <bond atomRefs2="a3 a26" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a5 a26" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a8 a25" order="S"/>
                  <bond atomRefs2="a9 a25" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a13 a23" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
               </bondArray>
               <formula concise="Cu20O6">
                  <atomArray count="20 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1366.9164</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.6O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26/rA:26CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O4O4O0O4O4/rB:;;;;;;;;;;;;;;;;;;;s1;s17s18s19s20;s11s12s13s15;;s2s7s8s9;s3s4s5s6;/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">256.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.03</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">T</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="2">PAW_PBE Cu 05Jan2001|PAW_PBE O 08Apr2002</array>
                  <array dictRef="cc:atomType" size="2">Cu O</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="2">63.546 16.000</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="2">11.000 6.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="2">20 6</array>
               </module>
               <module cmlx:templateRef="kpoints"
                       dictRef="cc:userDefinedModule"
                       id="vasp.kpoints">
                  <scalar dataType="xsd:string" dictRef="v:comment">K-Spacing Value to Generate K-Mesh: 0.030</scalar>
                  <scalar dataType="xsd:integer" dictRef="v:kpointnum">0</scalar>
                  <scalar dataType="xsd:string" dictRef="v:meshScheme">Gamma</scalar>
                  <array dataType="xsd:integer" dictRef="v:subdivisionN" size="3">9 9 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="12">1 2 3 4 5 6 7 8 9 10 11 12</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1920">-21.5012 -21.4605 -20.7696 -20.5547 -20.2533 -20.2220 -8.6762 -8.6761 -8.6532 -8.2236 -8.2235 -8.1938 -7.9506 -7.6957 -7.6956 -7.6750 -7.2156 -7.2155 -7.0930 -7.0929 -6.9399 -6.5965 -6.5964 -6.4713 -6.3029 -6.0160 -5.7520 -5.5630 -5.3257 -5.3257 -5.2572 -5.2542 -5.2541 -5.1992 -5.1201 -5.0636 -5.0636 -4.9958 -4.9958 -4.8632 -4.8632 -4.8381 -4.7516 -4.6809 -4.6809 -4.6099 -4.6099 -4.5746 -4.5746 -4.4971 -4.4971 -4.4266 -4.3877 -4.3801 -4.3801 -4.3748 -4.3748 -4.3048 -4.3048 -4.2740 -4.1832 -4.1395 -4.1395 -4.1219 -4.1219 -4.0977 -4.0622 -4.0463 -4.0463 -4.0150 -4.0150 -3.9411 -3.9411 -3.9367 -3.8756 -3.8587 -3.8587 -3.8512 -3.8512 -3.8343 -3.8226 -3.8036 -3.8036 -3.7562 -3.7562 -3.7369 -3.7279 -3.7279 -3.7081 -3.7081 -3.6996 -3.6844 -3.6844 -3.6468 -3.6468 -3.6109 -3.5968 -3.5813 -3.5813 -3.5555 -3.5222 -3.5222 -3.4831 -3.4813 -3.4813 -3.4566 -3.4566 -3.4505 -3.4297 -3.4297 -3.4084 -3.2737 -3.1767 -3.1767 -3.0830 -3.0513 -3.0513 -2.9665 -2.8899 -2.8898 -2.7512 -2.7511 -2.5858 -2.5858 -2.5708 -2.5114 -2.2534 -1.9377 -1.9377 -1.7862 -1.4491 -0.8064 -0.5579 -0.5579 -0.0881 -0.0881 0.0965 0.1441 0.1441 0.7220 0.7429 0.7430 1.3777 1.7181 1.7181 2.0316 2.2664 2.5831 2.5832 2.6249 2.8696 3.3044 3.6322 3.6322 3.9396 4.1077 4.3434 4.4761 4.4762 4.9328 -21.5009 -21.4542 -20.7692 -20.5622 -20.2531 -20.2218 -8.6735 -8.6680 -8.6398 -8.2627 -8.2258 -8.1959 -7.9441 -7.7831 -7.6921 -7.5007 -7.2431 -7.2116 -7.1245 -7.0891 -6.9466 -6.6312 -6.6045 -6.4494 -6.2841 -5.9877 -5.7198 -5.5924 -5.3375 -5.3273 -5.2592 -5.2422 -5.2257 -5.1801 -5.1047 -5.0573 -5.0550 -4.9847 -4.9733 -4.8630 -4.8410 -4.8258 -4.7411 -4.6805 -4.6785 -4.6094 -4.6060 -4.5702 -4.5690 -4.5011 -4.4934 -4.4458 -4.4203 -4.3883 -4.3791 -4.3675 -4.3552 -4.2992 -4.2975 -4.2745 -4.1903 -4.1612 -4.1486 -4.1303 -4.1221 -4.1175 -4.0792 -4.0697 -4.0481 -4.0179 -4.0135 -3.9513 -3.9418 -3.9263 -3.9055 -3.8883 -3.8725 -3.8655 -3.8434 -3.8358 -3.8295 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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">-104.63773399</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-104.63715526</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-104.63744463</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.9426</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2232658E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.074153507</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.074153507141149</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.158932534</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">60.0</scalar>
               </crystal>
               <atomArray>
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                        id="a1"
                        x3="2.50687"
                        xFract="0.27514087"
                        y3="1.44734"
                        yFract="0.27514028"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.0254"
                        xFract="0.44180602"
                        y3="2.32407"
                        yFract="0.44180722"
                        z3="11.4096"
                        zFract="0.40518581"/>
                  <atom elementType="Cu"
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                        x3="7.06248"
                        xFract="0.9487072"
                        y3="2.25147"
                        yFract="0.42800591"
                        z3="11.46409"
                        zFract="0.4071209"/>
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                        x3="5.48107"
                        xFract="0.42800608"
                        y3="4.99055"
                        yFract="0.94870681"
                        z3="11.46409"
                        zFract="0.4071209"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.64389"
                        xFract="0.94870744"
                        y3="4.99055"
                        yFract="0.94870681"
                        z3="11.46409"
                        zFract="0.4071209"/>
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                        xFract="0.77513961"
                        y3="4.07753"
                        yFract="0.77514111"
                        z3="9.09518"
                        zFract="0.32299449"/>
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                        xFract="0.25127003"
                        y3="4.32865"
                        yFract="0.82287918"
                        z3="9.09343"
                        zFract="0.32293234"/>
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                        xFract="0.82287844"
                        y3="1.32178"
                        yFract="0.25127124"
                        z3="9.09343"
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                        x3="2.28938"
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                        y3="1.32178"
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                        z3="9.09343"
                        zFract="0.32293234"/>
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                        xFract="0.10847407"
                        y3="0.57061"
                        yFract="0.10847333"
                        z3="6.97088"
                        zFract="0.24755484"/>
                  <atom elementType="Cu"
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                        xFract="0.06538201"
                        y3="3.31414"
                        yFract="0.63002017"
                        z3="7.1928"
                        zFract="0.25543582"/>
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                        x3="5.74025"
                        xFract="0.63001871"
                        y3="3.31414"
                        yFract="0.63002017"
                        z3="7.1928"
                        zFract="0.25543582"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="4.0254"
                        xFract="0.63001897"
                        y3="0.34393"
                        yFract="0.06538132"
                        z3="7.1928"
                        zFract="0.25543582"/>
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                        id="a14"
                        x3="5.54394"
                        xFract="0.77513976"
                        y3="1.44734"
                        yFract="0.27514028"
                        z3="2.61994"
                        zFract="0.09304117"/>
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                        y3="2.32407"
                        yFract="0.44180722"
                        z3="5.0997"
                        zFract="0.18110417"/>
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                        x3="4.0254"
                        xFract="0.27513907"
                        y3="4.07753"
                        yFract="0.77514111"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.06248"
                        xFract="0.77513961"
                        y3="4.07753"
                        yFract="0.77514111"
                        z3="2.61994"
                        zFract="0.09304117"/>
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                        x3="7.06248"
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                        y3="2.32407"
                        yFract="0.44180722"
                        z3="5.0997"
                        zFract="0.18110417"/>
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                        id="a19"
                        x3="5.54394"
                        xFract="0.44180682"
                        y3="4.95425"
                        yFract="0.94180615"
                        z3="5.0997"
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                        x3="8.58102"
                        xFract="0.94180735"
                        y3="4.95425"
                        yFract="0.94180615"
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                        zFract="0.18110417"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.98833"
                        xFract="0.10847407"
                        y3="0.57061"
                        yFract="0.10847333"
                        z3="2.0000"
                        zFract="0.07102542"/>
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                        id="a22"
                        x3="7.06248"
                        xFract="0.77513961"
                        y3="4.07753"
                        yFract="0.77514111"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="O"
                        id="a23"
                        x3="4.0254"
                        xFract="0.44180602"
                        y3="2.32407"
                        yFract="0.44180722"
                        z3="6.9416"
                        zFract="0.24651503"/>
                  <atom elementType="O"
                        id="a24"
                        x3="0.98833"
                        xFract="0.10847407"
                        y3="0.57061"
                        yFract="0.10847333"
                        z3="12.20691"
                        zFract="0.43350045"/>
                  <atom elementType="O"
                        id="a25"
                        x3="4.0254"
                        xFract="0.44180602"
                        y3="2.32407"
                        yFract="0.44180722"
                        z3="9.56196"
                        zFract="0.33957111"/>
                  <atom elementType="O"
                        id="a26"
                        x3="7.06248"
                        xFract="0.77513961"
                        y3="4.07753"
                        yFract="0.77514111"
                        z3="11.02939"
                        zFract="0.39168353"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a21" order="S"/>
                  <bond atomRefs2="a2 a25" order="S"/>
                  <bond atomRefs2="a3 a26" order="S"/>
                  <bond atomRefs2="a4 a26" order="S"/>
                  <bond atomRefs2="a5 a26" order="S"/>
                  <bond atomRefs2="a6 a12" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a7 a25" order="S"/>
                  <bond atomRefs2="a8 a25" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a25" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a12 a18" order="S"/>
                  <bond atomRefs2="a12 a19" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a13 a23" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
               </bondArray>
               <formula concise="Cu20O6">
                  <atomArray count="20 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1366.9164</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.6O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26/rA:26CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O4O4O0O4O4/rB:;;;;;;;;s9;;s6;;;;;;s12;s12;;s1;s17s18s19s20;s11s12s13s15;;s2s7s8s9;s3s4s5s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
