<?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">2022-08-04T00:43:53.000</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="2.48757071"
                        xFract="0.13651124"
                        y3="1.43619966"
                        yFract="0.27302249"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.59880103"
                        xFract="0.71984458"
                        y3="4.94311378"
                        yFract="0.93968915"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.56172422"
                        xFract="0.63651124"
                        y3="1.43619966"
                        yFract="0.27302249"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.08026266"
                        xFract="0.71984458"
                        y3="2.31292816"
                        yFract="0.43968915"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.11733941"
                        xFract="0.96984458"
                        y3="2.31292816"
                        yFract="0.43968915"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.59880103"
                        xFract="0.71984458"
                        y3="4.94311378"
                        yFract="0.93968915"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.63587779"
                        xFract="0.96984458"
                        y3="4.94311378"
                        yFract="0.93968915"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.11733935"
                        xFract="0.88651124"
                        y3="4.06638528"
                        yFract="0.77302249"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.0802626"
                        xFract="0.63651124"
                        y3="4.06638528"
                        yFract="0.77302249"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.59880097"
                        xFract="0.88651124"
                        y3="1.43619966"
                        yFract="0.27302249"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.56172422"
                        xFract="0.63651124"
                        y3="1.43619966"
                        yFract="0.27302249"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.04318587"
                        xFract="0.55317791"
                        y3="0.5594711"
                        yFract="0.10635582"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.56172425"
                        xFract="0.55317791"
                        y3="3.18965672"
                        yFract="0.60635582"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.598801"
                        xFract="0.80317791"
                        y3="3.18965672"
                        yFract="0.60635582"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.08026263"
                        xFract="0.80317791"
                        y3="0.5594711"
                        yFract="0.10635582"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.59880097"
                        xFract="0.88651124"
                        y3="1.43619966"
                        yFract="0.27302249"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.08026266"
                        xFract="0.71984458"
                        y3="2.31292816"
                        yFract="0.43968915"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.0802626"
                        xFract="0.63651124"
                        y3="4.06638528"
                        yFract="0.77302249"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.63587779"
                        xFract="0.96984458"
                        y3="4.94311378"
                        yFract="0.93968915"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.11733935"
                        xFract="0.88651124"
                        y3="4.06638528"
                        yFract="0.77302249"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.11733941"
                        xFract="0.96984458"
                        y3="2.31292816"
                        yFract="0.43968915"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.00610912"
                        xFract="0.30317791"
                        y3="0.5594711"
                        yFract="0.10635582"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.96903237"
                        xFract="0.05317791"
                        y3="0.5594711"
                        yFract="0.10635582"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.48757074"
                        xFract="0.05317791"
                        y3="3.18965672"
                        yFract="0.60635582"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.5246475"
                        xFract="0.30317791"
                        y3="3.18965672"
                        yFract="0.60635582"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.00610909"
                        xFract="0.13651124"
                        y3="4.06638528"
                        yFract="0.77302249"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.52464747"
                        xFract="0.38651124"
                        y3="1.43619966"
                        yFract="0.27302249"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.00610915"
                        xFract="0.21984458"
                        y3="2.31292816"
                        yFract="0.43968915"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.00610909"
                        xFract="0.13651124"
                        y3="4.06638528"
                        yFract="0.77302249"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.48757071"
                        xFract="0.13651124"
                        y3="1.43619966"
                        yFract="0.27302249"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.04318584"
                        xFract="0.38651124"
                        y3="4.06638528"
                        yFract="0.77302249"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.52464753"
                        xFract="0.21984458"
                        y3="4.94311378"
                        yFract="0.93968915"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.04318584"
                        xFract="0.38651124"
                        y3="4.06638528"
                        yFract="0.77302249"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.56172428"
                        xFract="0.46984458"
                        y3="4.94311378"
                        yFract="0.93968915"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.52464753"
                        xFract="0.21984458"
                        y3="4.94311378"
                        yFract="0.93968915"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="7.0431859"
                        xFract="0.46984458"
                        y3="2.31292816"
                        yFract="0.43968915"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.56172428"
                        xFract="0.46984458"
                        y3="4.94311378"
                        yFract="0.93968915"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.00610915"
                        xFract="0.21984458"
                        y3="2.31292816"
                        yFract="0.43968915"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.0431859"
                        xFract="0.46984458"
                        y3="2.31292816"
                        yFract="0.43968915"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.52464747"
                        xFract="0.38651124"
                        y3="1.43619966"
                        yFract="0.27302249"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="O"
                        id="a41"
                        x3="7.04318587"
                        xFract="0.55317791"
                        y3="0.5594711"
                        yFract="0.10635582"
                        z3="5.71964407"
                        zFract="0.20312006"/>
                  <atom elementType="O"
                        id="a42"
                        x3="7.04318587"
                        xFract="0.55317791"
                        y3="0.5594711"
                        yFract="0.10635582"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a43"
                        x3="4.00610915"
                        xFract="0.21984458"
                        y3="2.31292816"
                        yFract="0.43968915"
                        z3="10.67916985"
                        zFract="0.37924626"/>
                  <atom elementType="O"
                        id="a44"
                        x3="0.96903237"
                        xFract="0.05317791"
                        y3="0.5594711"
                        yFract="0.10635582"
                        z3="13.15893246"
                        zFract="0.46730935"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.96903237"
                        xFract="0.05317791"
                        y3="0.5594711"
                        yFract="0.10635582"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="O"
                        id="a46"
                        x3="13.11733935"
                        xFract="0.88651124"
                        y3="4.06638528"
                        yFract="0.77302249"
                        z3="11.91905101"
                        zFract="0.4232778"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a5 a46" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a7 a46" order="S"/>
                  <bond atomRefs2="a8 a46" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a30 a43" order="S"/>
                  <bond atomRefs2="a30 a45" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
               </bondArray>
               <formula concise="Cu40O6">
                  <atomArray count="40 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2637.8364000000006</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.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;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOOO4O0OO4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s12s39;s3s27;s26s30s38s40;;s23s30;s5s6s7s8;/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">476.0000</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 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">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>
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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">-167.35818845</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-167.34845481</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-167.35332163</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.2385</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1965569E-03</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="2.48757"
                        xFract="0.13651117"
                        y3="1.4362"
                        yFract="0.27302256"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.5988"
                        xFract="0.71984467"
                        y3="4.94311"
                        yFract="0.93968843"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.56172"
                        xFract="0.63651088"
                        y3="1.4362"
                        yFract="0.27302256"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="9.81502"
                        xFract="0.69073278"
                        y3="2.46607"
                        yFract="0.46880151"
                        z3="11.03468"
                        zFract="0.39187139"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="12.96306"
                        xFract="0.95709825"
                        y3="2.31391"
                        yFract="0.4398758"
                        z3="11.04512"
                        zFract="0.39224214"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.07213"
                        xFract="0.66203986"
                        y3="5.24719"
                        yFract="0.99749424"
                        z3="10.70643"
                        zFract="0.38021434"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.55788"
                        xFract="0.95709727"
                        y3="5.07624"
                        yFract="0.96499653"
                        z3="11.04512"
                        zFract="0.39224214"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.62575"
                        xFract="0.83255723"
                        y3="4.3502"
                        yFract="0.82697585"
                        z3="8.84687"
                        zFract="0.31417633"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.8979"
                        xFract="0.63297318"
                        y3="3.82497"
                        yFract="0.72712929"
                        z3="8.9819"
                        zFract="0.31897161"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.25693"
                        xFract="0.84898926"
                        y3="1.63358"
                        yFract="0.31054462"
                        z3="9.11842"
                        zFract="0.3238198"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.67961"
                        xFract="0.6329727"
                        y3="1.71484"
                        yFract="0.3259922"
                        z3="8.9819"
                        zFract="0.31897161"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.72348"
                        xFract="0.62784351"
                        y3="0.1667"
                        yFract="0.03168978"
                        z3="7.47246"
                        zFract="0.2653673"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.54725"
                        xFract="0.55158946"
                        y3="3.19801"
                        yFract="0.60794378"
                        z3="6.93611"
                        zFract="0.24632006"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.51611"
                        xFract="0.80459757"
                        y3="3.01656"
                        yFract="0.57345002"
                        z3="6.98004"
                        zFract="0.24788014"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.18882"
                        xFract="0.80459739"
                        y3="0.71763"
                        yFract="0.13642193"
                        z3="6.98004"
                        zFract="0.24788014"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.5988"
                        xFract="0.88651114"
                        y3="1.4362"
                        yFract="0.27302256"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.08026"
                        xFract="0.71984427"
                        y3="2.31293"
                        yFract="0.4396895"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.08026"
                        xFract="0.6365108"
                        y3="4.06639"
                        yFract="0.77302339"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.63588"
                        xFract="0.96984494"
                        y3="4.94311"
                        yFract="0.93968843"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.11734"
                        xFract="0.88651107"
                        y3="4.06639"
                        yFract="0.77302339"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.11734"
                        xFract="0.96984454"
                        y3="2.31293"
                        yFract="0.4396895"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.96077"
                        xFract="0.30771663"
                        y3="0.38544"
                        yFract="0.0732724"
                        z3="6.95572"
                        zFract="0.24701647"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.0232"
                        xFract="0.05912294"
                        y3="0.5282"
                        yFract="0.10041116"
                        z3="6.75189"
                        zFract="0.23977791"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.05993"
                        xFract="0.00624259"
                        y3="3.43655"
                        yFract="0.65329039"
                        z3="7.01292"
                        zFract="0.24904779"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.6527"
                        xFract="0.30771705"
                        y3="3.31594"
                        yFract="0.63036235"
                        z3="6.95572"
                        zFract="0.24701647"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="3.99335"
                        xFract="0.13589607"
                        y3="4.05723"
                        yFract="0.77128207"
                        z3="8.86842"
                        zFract="0.31494163"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.52465"
                        xFract="0.38651143"
                        y3="1.4362"
                        yFract="0.27302256"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.00611"
                        xFract="0.21984456"
                        y3="2.31293"
                        yFract="0.4396895"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.00611"
                        xFract="0.13651109"
                        y3="4.06639"
                        yFract="0.77302339"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.48912"
                        xFract="0.13589641"
                        y3="1.45182"
                        yFract="0.27599193"
                        z3="8.86842"
                        zFract="0.31494163"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.04319"
                        xFract="0.38651136"
                        y3="4.06639"
                        yFract="0.77302339"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.52465"
                        xFract="0.21984496"
                        y3="4.94311"
                        yFract="0.93968843"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.15253"
                        xFract="0.39851205"
                        y3="4.00326"
                        yFract="0.76102233"
                        z3="8.88031"
                        zFract="0.31536387"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.49928"
                        xFract="0.47788665"
                        y3="4.66574"
                        yFract="0.88696021"
                        z3="10.84444"
                        zFract="0.38511545"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.74201"
                        xFract="0.2437011"
                        y3="4.81762"
                        yFract="0.9158327"
                        z3="10.89762"
                        zFract="0.38700402"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="7.25217"
                        xFract="0.47788628"
                        y3="2.50569"
                        yFract="0.4763333"
                        z3="10.84444"
                        zFract="0.38511545"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.56172"
                        xFract="0.46984441"
                        y3="4.94311"
                        yFract="0.93968843"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.94872"
                        xFract="0.32330059"
                        y3="1.76871"
                        yFract="0.33623292"
                        z3="10.98202"
                        zFract="0.39000129"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.04319"
                        xFract="0.46984483"
                        y3="2.31293"
                        yFract="0.4396895"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.87634"
                        xFract="0.42511113"
                        y3="1.23315"
                        yFract="0.23442262"
                        z3="8.72979"
                        zFract="0.3100185"/>
                  <atom elementType="O"
                        id="a41"
                        x3="7.04319"
                        xFract="0.5531783"
                        y3="0.55947"
                        yFract="0.10635561"
                        z3="5.71964"
                        zFract="0.20311992"/>
                  <atom elementType="O"
                        id="a42"
                        x3="7.04319"
                        xFract="0.5531783"
                        y3="0.55947"
                        yFract="0.10635561"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a43"
                        x3="4.10923"
                        xFract="0.23116264"
                        y3="2.25339"
                        yFract="0.42837091"
                        z3="9.28395"
                        zFract="0.32969822"/>
                  <atom elementType="O"
                        id="a44"
                        x3="1.07351"
                        xFract="0.06464486"
                        y3="0.49915"
                        yFract="0.09488874"
                        z3="11.44157"
                        zFract="0.40632116"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.78451"
                        xFract="0.03292549"
                        y3="0.66601"
                        yFract="0.12660893"
                        z3="8.61488"
                        zFract="0.30593773"/>
                  <atom elementType="O"
                        id="a46"
                        x3="12.89857"
                        xFract="0.86250037"
                        y3="4.19269"
                        yFract="0.7970331"
                        z3="10.81152"
                        zFract="0.38394637"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a4 a36" order="S"/>
                  <bond atomRefs2="a4 a34" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a46" order="S"/>
                  <bond atomRefs2="a6 a34" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a46" order="S"/>
                  <bond atomRefs2="a7 a46" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a8 a46" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a34" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a36" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a13 a33" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a39" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a26 a43" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a30 a45" order="S"/>
                  <bond atomRefs2="a30 a43" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a38 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
                  <bond atomRefs2="a40 a43" order="S"/>
               </bondArray>
               <formula concise="Cu40O6">
                  <atomArray count="40 6" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2637.8364000000006</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.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;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46/rA:46CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOOO4O0OO4/rB:;;;;;;s6;s4s6;s4s5s9;s4s9s10;s11;s9s11;s8s10;s10s12s14;;s13s14s15;;;;s14;;;;;s25;;s22s25;;s22;;s25;s13s25;s4s6s9s33;s33;s4s11s33s34;s13;s36;s13s25;s12s38;s12s39;s3s27;s26s30s38s40;;s23s30;s5s6s7s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
