<?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">2022-08-04T00:48:52.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.148307014</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="2.58717881"
                        xFract="0.14197747"
                        y3="1.49370835"
                        yFract="0.28395493"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.69840904"
                        xFract="0.7253108"
                        y3="5.00062253"
                        yFract="0.9506216"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.66133232"
                        xFract="0.64197747"
                        y3="1.49370835"
                        yFract="0.28395493"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.17987066"
                        xFract="0.7253108"
                        y3="2.37043691"
                        yFract="0.4506216"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.21694742"
                        xFract="0.9753108"
                        y3="2.37043691"
                        yFract="0.4506216"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.69840904"
                        xFract="0.7253108"
                        y3="5.00062253"
                        yFract="0.9506216"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.73548579"
                        xFract="0.9753108"
                        y3="5.00062253"
                        yFract="0.9506216"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.21694745"
                        xFract="0.89197747"
                        y3="4.12389397"
                        yFract="0.78395493"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.17987069"
                        xFract="0.64197747"
                        y3="4.12389397"
                        yFract="0.78395493"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.69840907"
                        xFract="0.89197747"
                        y3="1.49370835"
                        yFract="0.28395493"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.66133232"
                        xFract="0.64197747"
                        y3="1.49370835"
                        yFract="0.28395493"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.14279388"
                        xFract="0.55864413"
                        y3="0.61697984"
                        yFract="0.11728827"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.66133226"
                        xFract="0.55864413"
                        y3="3.24716546"
                        yFract="0.61728827"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.69840901"
                        xFract="0.80864413"
                        y3="3.24716546"
                        yFract="0.61728827"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.17987063"
                        xFract="0.80864413"
                        y3="0.61697984"
                        yFract="0.11728827"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.69840907"
                        xFract="0.89197747"
                        y3="1.49370835"
                        yFract="0.28395493"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.17987066"
                        xFract="0.7253108"
                        y3="2.37043691"
                        yFract="0.4506216"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.17987069"
                        xFract="0.64197747"
                        y3="4.12389397"
                        yFract="0.78395493"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.73548579"
                        xFract="0.9753108"
                        y3="5.00062253"
                        yFract="0.9506216"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.21694745"
                        xFract="0.89197747"
                        y3="4.12389397"
                        yFract="0.78395493"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.21694742"
                        xFract="0.9753108"
                        y3="2.37043691"
                        yFract="0.4506216"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.10571713"
                        xFract="0.30864413"
                        y3="0.61697984"
                        yFract="0.11728827"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.06864037"
                        xFract="0.05864413"
                        y3="0.61697984"
                        yFract="0.11728827"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.58717875"
                        xFract="0.05864413"
                        y3="3.24716546"
                        yFract="0.61728827"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.6242555"
                        xFract="0.30864413"
                        y3="3.24716546"
                        yFract="0.61728827"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.10571719"
                        xFract="0.14197747"
                        y3="4.12389397"
                        yFract="0.78395493"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.62425556"
                        xFract="0.39197747"
                        y3="1.49370835"
                        yFract="0.28395493"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.10571716"
                        xFract="0.2253108"
                        y3="2.37043691"
                        yFract="0.4506216"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.10571719"
                        xFract="0.14197747"
                        y3="4.12389397"
                        yFract="0.78395493"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.58717881"
                        xFract="0.14197747"
                        y3="1.49370835"
                        yFract="0.28395493"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.14279394"
                        xFract="0.39197747"
                        y3="4.12389397"
                        yFract="0.78395493"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.62425553"
                        xFract="0.2253108"
                        y3="5.00062253"
                        yFract="0.9506216"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.14279394"
                        xFract="0.39197747"
                        y3="4.12389397"
                        yFract="0.78395493"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.66133229"
                        xFract="0.4753108"
                        y3="5.00062253"
                        yFract="0.9506216"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.62425553"
                        xFract="0.2253108"
                        y3="5.00062253"
                        yFract="0.9506216"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="7.14279391"
                        xFract="0.4753108"
                        y3="2.37043691"
                        yFract="0.4506216"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.66133229"
                        xFract="0.4753108"
                        y3="5.00062253"
                        yFract="0.9506216"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.10571716"
                        xFract="0.2253108"
                        y3="2.37043691"
                        yFract="0.4506216"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.14279391"
                        xFract="0.4753108"
                        y3="2.37043691"
                        yFract="0.4506216"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.62425556"
                        xFract="0.39197747"
                        y3="1.49370835"
                        yFract="0.28395493"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="O"
                        id="a41"
                        x3="13.21694745"
                        xFract="0.89197747"
                        y3="4.12389397"
                        yFract="0.78395493"
                        z3="3.85982204"
                        zFract="0.13707274"/>
                  <atom elementType="O"
                        id="a42"
                        x3="4.10571716"
                        xFract="0.2253108"
                        y3="2.37043691"
                        yFract="0.4506216"
                        z3="2.61994059"
                        zFract="0.09304119"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a2 a41" order="S"/>
                  <bond atomRefs2="a19 a41" order="S"/>
                  <bond atomRefs2="a20 a41" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
               </bondArray>
               <formula concise="Cu40O2">
                  <atomArray count="40 2" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2573.8388</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.2O">
                  <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:42CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s2s19s20s21;s1s27s28s29;/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">452.0000</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">40 2</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">3 6 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="8">1 2 3 4 5 6 7 8</array>
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-0.096456 -0.306373 -0.212999 0.122975 -0.975713</matrix>
               </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">-142.19482852</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-142.18707710</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-142.19095281</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.2136</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4881400E-01</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.148307014</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="2.58718"
                        xFract="0.14197749"
                        y3="1.49371"
                        yFract="0.28395524"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.69841"
                        xFract="0.725311"
                        y3="5.00062"
                        yFract="0.95062112"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.66133"
                        xFract="0.6419772"
                        y3="1.49371"
                        yFract="0.28395524"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="9.93027"
                        xFract="0.69791567"
                        y3="2.51455"
                        yFract="0.47801759"
                        z3="8.63185"
                        zFract="0.30654038"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="12.74277"
                        xFract="0.91216305"
                        y3="2.87786"
                        yFract="0.54708306"
                        z3="9.08538"
                        zFract="0.32264646"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.54014"
                        xFract="0.70794"
                        y3="5.0920"
                        yFract="0.96799252"
                        z3="8.53812"
                        zFract="0.30321178"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.05895"
                        xFract="0.9121626"
                        y3="5.15756"
                        yFract="0.98045552"
                        z3="9.08538"
                        zFract="0.32264646"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.22478"
                        xFract="0.89283722"
                        y3="4.11937"
                        yFract="0.78309492"
                        z3="6.97127"
                        zFract="0.24756869"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.10727"
                        xFract="0.51665338"
                        y3="4.9031"
                        yFract="0.9320825"
                        z3="8.37353"
                        zFract="0.29736674"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.72363"
                        xFract="0.89474544"
                        y3="1.47915"
                        yFract="0.28118738"
                        z3="7.33437"
                        zFract="0.26046335"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="7.45022"
                        xFract="0.51665363"
                        y3="2.0330"
                        yFract="0.38647462"
                        z3="8.37353"
                        zFract="0.29736674"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="6.86014"
                        xFract="0.52762156"
                        y3="0.78017"
                        yFract="0.14831083"
                        z3="6.30737"
                        zFract="0.2239918"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.31164"
                        xFract="0.52026379"
                        y3="3.44906"
                        yFract="0.65566855"
                        z3="6.42834"
                        zFract="0.22828777"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="10.81651"
                        xFract="0.71672056"
                        y3="3.65388"
                        yFract="0.69460497"
                        z3="6.47233"
                        zFract="0.22984998"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.3867"
                        xFract="0.71672087"
                        y3="1.17737"
                        yFract="0.2238188"
                        z3="6.47233"
                        zFract="0.22984998"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.69841"
                        xFract="0.89197747"
                        y3="1.49371"
                        yFract="0.28395524"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.17987"
                        xFract="0.7253106"
                        y3="2.37044"
                        yFract="0.45062219"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.17987"
                        xFract="0.6419776"
                        y3="4.12389"
                        yFract="0.78395418"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.73549"
                        xFract="0.97531127"
                        y3="5.00062"
                        yFract="0.95062112"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.21695"
                        xFract="0.89197787"
                        y3="4.12389"
                        yFract="0.78395418"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.21695"
                        xFract="0.97531087"
                        y3="2.37044"
                        yFract="0.45062219"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.12551"
                        xFract="0.31232553"
                        y3="0.5738"
                        yFract="0.10907975"
                        z3="6.2623"
                        zFract="0.22239124"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.25441"
                        xFract="0.07903301"
                        y3="0.50973"
                        yFract="0.09690001"
                        z3="6.14169"
                        zFract="0.21810805"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.12674"
                        xFract="0.11786348"
                        y3="2.93565"
                        yFract="0.55806898"
                        z3="6.49093"
                        zFract="0.23051051"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.67155"
                        xFract="0.312326"
                        y3="3.25161"
                        yFract="0.61813318"
                        z3="6.2623"
                        zFract="0.22239124"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.14891"
                        xFract="0.13364755"
                        y3="4.37398"
                        yFract="0.83149645"
                        z3="8.15309"
                        zFract="0.28953832"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.62426"
                        xFract="0.39197776"
                        y3="1.49371"
                        yFract="0.28395524"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.10572"
                        xFract="0.22531089"
                        y3="2.37044"
                        yFract="0.45062219"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.10572"
                        xFract="0.14197789"
                        y3="4.12389"
                        yFract="0.78395418"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.39219"
                        xFract="0.13364716"
                        y3="1.33126"
                        yFract="0.25307339"
                        z3="8.15309"
                        zFract="0.28953832"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.14279"
                        xFract="0.39197733"
                        y3="4.12389"
                        yFract="0.78395418"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.62426"
                        xFract="0.22531129"
                        y3="5.00062"
                        yFract="0.95062112"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="6.69911"
                        xFract="0.34328133"
                        y3="4.38005"
                        yFract="0.83265036"
                        z3="8.2318"
                        zFract="0.29233352"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="3.94118"
                        xFract="0.29473747"
                        y3="0.62461"
                        yFract="0.11873877"
                        z3="10.07462"
                        zFract="0.35777706"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="1.3024"
                        xFract="0.08430028"
                        y3="0.48202"
                        yFract="0.09163232"
                        z3="10.13607"
                        zFract="0.35995931"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="5.53538"
                        xFract="0.29473772"
                        y3="3.38584"
                        yFract="0.64365039"
                        z3="10.07462"
                        zFract="0.35777706"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.66133"
                        xFract="0.47531073"
                        y3="5.00062"
                        yFract="0.95062112"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.02033"
                        xFract="0.10618428"
                        y3="2.99709"
                        yFract="0.56974876"
                        z3="9.84147"
                        zFract="0.34949727"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.14279"
                        xFract="0.47531033"
                        y3="2.37044"
                        yFract="0.45062219"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="4.95657"
                        xFract="0.31869571"
                        y3="1.8792"
                        yFract="0.35723714"
                        z3="8.18895"
                        zFract="0.29081181"/>
                  <atom elementType="O"
                        id="a41"
                        x3="13.21695"
                        xFract="0.89197787"
                        y3="4.12389"
                        yFract="0.78395418"
                        z3="3.85982"
                        zFract="0.13707267"/>
                  <atom elementType="O"
                        id="a42"
                        x3="4.10572"
                        xFract="0.22531089"
                        y3="2.37044"
                        yFract="0.45062219"
                        z3="2.61994"
                        zFract="0.09304117"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a42" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a41" order="S"/>
                  <bond atomRefs2="a4 a15" order="S"/>
                  <bond atomRefs2="a4 a14" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a14" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a40" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a13 a25" order="S"/>
                  <bond atomRefs2="a13 a33" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a13 a15" order="S"/>
                  <bond atomRefs2="a13 a14" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a19 a41" order="S"/>
                  <bond atomRefs2="a20 a41" order="S"/>
                  <bond atomRefs2="a21 a41" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a39" order="S"/>
                  <bond atomRefs2="a25 a40" order="S"/>
                  <bond atomRefs2="a26 a40" order="S"/>
                  <bond atomRefs2="a26 a36" order="S"/>
                  <bond atomRefs2="a26 a33" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a42" order="S"/>
                  <bond atomRefs2="a30 a40" order="S"/>
                  <bond atomRefs2="a30 a34" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a40" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
               </bondArray>
               <formula concise="Cu40O2">
                  <atomArray count="40 2" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2573.8388</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.2O">
                  <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:42CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4/rB:;;;;s5;s5s6;s5s6s7;s4s6;s4s5;s4;s11;s9s11;s2s4s6s8s10s13;s4s10s12s13;;s14s15;;;;;;;s22;s13s24;s24s25;;s22s24s25;;s22s23s24;;s25;s9s11s13s25s26;s30;s30s34;s26s33;s13;s26s30s34s36;s12s13s25;s11s22s25s26s30s34s36;s2s19s20s21;s1s27s28s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
