<?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">2022-08-04T00:18:45.000</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="2.57880158"
                        xFract="0.14201415"
                        y3="1.47842676"
                        yFract="0.28104989"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.69003178"
                        xFract="0.72534748"
                        y3="4.98534089"
                        yFract="0.94771655"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.65295509"
                        xFract="0.64201415"
                        y3="1.47842676"
                        yFract="0.28104989"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.1714934"
                        xFract="0.72534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.20857016"
                        xFract="0.97534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.69003178"
                        xFract="0.72534748"
                        y3="4.98534089"
                        yFract="0.94771655"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.72710853"
                        xFract="0.97534748"
                        y3="4.98534089"
                        yFract="0.94771655"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.20857022"
                        xFract="0.89201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.17149347"
                        xFract="0.64201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.69003184"
                        xFract="0.89201415"
                        y3="1.47842676"
                        yFract="0.28104989"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.65295509"
                        xFract="0.64201415"
                        y3="1.47842676"
                        yFract="0.28104989"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.13441662"
                        xFract="0.55868081"
                        y3="0.6016982"
                        yFract="0.11438322"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.652955"
                        xFract="0.55868081"
                        y3="3.23188382"
                        yFract="0.61438322"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.69003175"
                        xFract="0.80868081"
                        y3="3.23188382"
                        yFract="0.61438322"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.17149337"
                        xFract="0.80868081"
                        y3="0.6016982"
                        yFract="0.11438322"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.69003184"
                        xFract="0.89201415"
                        y3="1.47842676"
                        yFract="0.28104989"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.1714934"
                        xFract="0.72534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.17149347"
                        xFract="0.64201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.72710853"
                        xFract="0.97534748"
                        y3="4.98534089"
                        yFract="0.94771655"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.20857022"
                        xFract="0.89201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.20857016"
                        xFract="0.97534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.09733987"
                        xFract="0.30868081"
                        y3="0.6016982"
                        yFract="0.11438322"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.06026311"
                        xFract="0.05868081"
                        y3="0.6016982"
                        yFract="0.11438322"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.57880149"
                        xFract="0.05868081"
                        y3="3.23188382"
                        yFract="0.61438322"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.61587824"
                        xFract="0.30868081"
                        y3="3.23188382"
                        yFract="0.61438322"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.09733996"
                        xFract="0.14201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.61587834"
                        xFract="0.39201415"
                        y3="1.47842676"
                        yFract="0.28104989"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.0973399"
                        xFract="0.22534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.09733996"
                        xFract="0.14201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.57880158"
                        xFract="0.14201415"
                        y3="1.47842676"
                        yFract="0.28104989"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.13441671"
                        xFract="0.39201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.61587827"
                        xFract="0.22534748"
                        y3="4.98534089"
                        yFract="0.94771655"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.13441671"
                        xFract="0.39201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.65295503"
                        xFract="0.47534748"
                        y3="4.98534089"
                        yFract="0.94771655"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.61587827"
                        xFract="0.22534748"
                        y3="4.98534089"
                        yFract="0.94771655"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="7.13441665"
                        xFract="0.47534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.65295503"
                        xFract="0.47534748"
                        y3="4.98534089"
                        yFract="0.94771655"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.0973399"
                        xFract="0.22534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.13441665"
                        xFract="0.47534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.61587834"
                        xFract="0.39201415"
                        y3="1.47842676"
                        yFract="0.28104989"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="O"
                        id="a41"
                        x3="10.1714934"
                        xFract="0.72534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="3.23988146"
                        zFract="0.11505697"/>
                  <atom elementType="O"
                        id="a42"
                        x3="7.13441662"
                        xFract="0.55868081"
                        y3="0.6016982"
                        yFract="0.11438322"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a43"
                        x3="10.1714934"
                        xFract="0.72534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="O"
                        id="a44"
                        x3="13.20857022"
                        xFract="0.89201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="O"
                        id="a45"
                        x3="7.13441671"
                        xFract="0.39201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="O"
                        id="a46"
                        x3="4.0973399"
                        xFract="0.22534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="O"
                        id="a47"
                        x3="7.13441671"
                        xFract="0.39201415"
                        y3="4.10861238"
                        yFract="0.78104989"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="O"
                        id="a48"
                        x3="4.0973399"
                        xFract="0.22534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="3.23988146"
                        zFract="0.11505697"/>
                  <atom elementType="O"
                        id="a49"
                        x3="10.1714934"
                        xFract="0.72534748"
                        y3="2.35515527"
                        yFract="0.44771655"
                        z3="10.67916985"
                        zFract="0.37924626"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a48" order="S"/>
                  <bond atomRefs2="a2 a44" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a41" order="S"/>
                  <bond atomRefs2="a4 a49" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a11 a49" order="S"/>
                  <bond atomRefs2="a13 a43" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a19 a44" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a22 a46" order="S"/>
                  <bond atomRefs2="a24 a46" order="S"/>
                  <bond atomRefs2="a25 a46" order="S"/>
                  <bond atomRefs2="a27 a48" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a28 a46" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a31 a47" order="S"/>
                  <bond atomRefs2="a32 a47" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a34 a45" order="S"/>
                  <bond atomRefs2="a35 a45" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
               </bondArray>
               <formula concise="Cu40O9">
                  <atomArray count="40 9" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2685.834600000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.9O">
                  <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;47;48;49/rA:49CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OO4O4O4O4O4O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s3s16s17s18;s3s27;s13s14s15s17;s2s19s20s21;s33s34s35s36;s22s24s25s28;s31s32s37s39;s1s27s28s29;s4s9s10s11;/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">494.0000</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 9</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">
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-0.364119 0.006937 -0.004005 -0.064061</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">-190.29872218</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-190.29738849</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-190.29805534</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.9746</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2282605E-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="2.5788"
                        xFract="0.14201387"
                        y3="1.47843"
                        yFract="0.28105051"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.69003"
                        xFract="0.72534738"
                        y3="4.98534"
                        yFract="0.94771638"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.65296"
                        xFract="0.6420144"
                        y3="1.47843"
                        yFract="0.28105051"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.09755"
                        xFract="0.82698633"
                        y3="1.8205"
                        yFract="0.34607824"
                        z3="11.12972"
                        zFract="0.39524652"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.4624"
                        xFract="0.99657989"
                        y3="2.34804"
                        yFract="0.44636393"
                        z3="10.87247"
                        zFract="0.38611087"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="12.31641"
                        xFract="0.79409547"
                        y3="4.6237"
                        yFract="0.87896838"
                        z3="10.84918"
                        zFract="0.38528378"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.86018"
                        xFract="0.9965797"
                        y3="4.76907"
                        yFract="0.90660331"
                        z3="10.87247"
                        zFract="0.38611087"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.56301"
                        xFract="0.9309154"
                        y3="3.90398"
                        yFract="0.74214914"
                        z3="8.98415"
                        zFract="0.31905151"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.35211"
                        xFract="0.64756934"
                        y3="4.30456"
                        yFract="0.81829966"
                        z3="9.19357"
                        zFract="0.32648858"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.81459"
                        xFract="0.90568513"
                        y3="1.40651"
                        yFract="0.26737847"
                        z3="8.84989"
                        zFract="0.31428358"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.57357"
                        xFract="0.64756973"
                        y3="1.22403"
                        yFract="0.2326889"
                        z3="9.19357"
                        zFract="0.32648858"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.28142"
                        xFract="0.57481491"
                        y3="0.51683"
                        yFract="0.09824972"
                        z3="6.92568"
                        zFract="0.24594966"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.47271"
                        xFract="0.538898"
                        y3="3.33595"
                        yFract="0.63416627"
                        z3="7.29494"
                        zFract="0.25906309"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.91476"
                        xFract="0.82079614"
                        y3="3.3662"
                        yFract="0.63991681"
                        z3="7.18364"
                        zFract="0.25511052"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.16754"
                        xFract="0.82079644"
                        y3="0.33992"
                        yFract="0.06461901"
                        z3="7.18364"
                        zFract="0.25511052"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.69003"
                        xFract="0.89201384"
                        y3="1.47843"
                        yFract="0.28105051"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.17149"
                        xFract="0.72534697"
                        y3="2.35516"
                        yFract="0.44771745"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.17149"
                        xFract="0.64201398"
                        y3="4.10861"
                        yFract="0.78104944"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.72711"
                        xFract="0.97534764"
                        y3="4.98534"
                        yFract="0.94771638"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.20857"
                        xFract="0.89201425"
                        y3="4.10861"
                        yFract="0.78104944"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.20857"
                        xFract="0.97534724"
                        y3="2.35516"
                        yFract="0.44771745"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.14555"
                        xFract="0.32655743"
                        y3="0.30905"
                        yFract="0.05875061"
                        z3="7.20168"
                        zFract="0.25575117"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.99399"
                        xFract="0.05140707"
                        y3="0.63996"
                        yFract="0.12165681"
                        z3="6.75712"
                        zFract="0.23996364"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.52256"
                        xFract="0.05250828"
                        y3="3.26435"
                        yFract="0.62055506"
                        z3="7.01081"
                        zFract="0.24897286"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.89342"
                        xFract="0.32655694"
                        y3="3.33646"
                        yFract="0.63426322"
                        z3="7.20168"
                        zFract="0.25575117"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="3.99646"
                        xFract="0.1160898"
                        y3="4.47937"
                        yFract="0.85153115"
                        z3="8.7452"
                        zFract="0.31056575"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.61588"
                        xFract="0.39201413"
                        y3="1.47843"
                        yFract="0.28105051"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.09734"
                        xFract="0.22534726"
                        y3="2.35516"
                        yFract="0.44771745"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.09734"
                        xFract="0.14201427"
                        y3="4.10861"
                        yFract="0.78104944"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.20728"
                        xFract="0.11609024"
                        y3="1.38041"
                        yFract="0.26241684"
                        z3="8.7452"
                        zFract="0.31056575"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.13442"
                        xFract="0.39201453"
                        y3="4.10861"
                        yFract="0.78104944"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.61588"
                        xFract="0.22534766"
                        y3="4.98534"
                        yFract="0.94771638"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.06624"
                        xFract="0.38453116"
                        y3="4.14798"
                        yFract="0.7885337"
                        z3="9.17635"
                        zFract="0.32587705"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="4.91563"
                        xFract="0.3799314"
                        y3="0.5198"
                        yFract="0.09881432"
                        z3="10.93636"
                        zFract="0.38837978"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.15164"
                        xFract="0.17439512"
                        y3="5.25337"
                        yFract="0.99866906"
                        z3="10.86142"
                        zFract="0.38571846"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="6.09595"
                        xFract="0.3799316"
                        y3="2.56417"
                        yFract="0.48745039"
                        z3="10.93636"
                        zFract="0.38837978"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.65296"
                        xFract="0.47534793"
                        y3="4.98534"
                        yFract="0.94771638"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.77255"
                        xFract="0.18970041"
                        y3="2.54267"
                        yFract="0.48336322"
                        z3="10.31256"
                        zFract="0.36622695"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.13442"
                        xFract="0.47534753"
                        y3="2.35516"
                        yFract="0.44771745"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.06693"
                        xFract="0.44151927"
                        y3="1.21801"
                        yFract="0.23154449"
                        z3="8.89845"
                        zFract="0.31600807"/>
                  <atom elementType="O"
                        id="a41"
                        x3="10.17149"
                        xFract="0.72534697"
                        y3="2.35516"
                        yFract="0.44771745"
                        z3="3.23988"
                        zFract="0.11505692"/>
                  <atom elementType="O"
                        id="a42"
                        x3="7.13442"
                        xFract="0.558681"
                        y3="0.6017"
                        yFract="0.11438356"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a43"
                        x3="10.17082"
                        xFract="0.72527376"
                        y3="2.35554"
                        yFract="0.44778969"
                        z3="6.95121"
                        zFract="0.2468563"/>
                  <atom elementType="O"
                        id="a44"
                        x3="13.20857"
                        xFract="0.89201425"
                        y3="4.10861"
                        yFract="0.78104944"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="O"
                        id="a45"
                        x3="6.81623"
                        xFract="0.35709156"
                        y3="4.29232"
                        yFract="0.81597283"
                        z3="11.16305"
                        zFract="0.39643016"/>
                  <atom elementType="O"
                        id="a46"
                        x3="4.26594"
                        xFract="0.24385232"
                        y3="2.25781"
                        yFract="0.42921115"
                        z3="6.9497"
                        zFract="0.24680268"/>
                  <atom elementType="O"
                        id="a47"
                        x3="7.13442"
                        xFract="0.39201453"
                        y3="4.10861"
                        yFract="0.78104944"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="O"
                        id="a48"
                        x3="4.09734"
                        xFract="0.22534726"
                        y3="2.35516"
                        yFract="0.44771745"
                        z3="3.23988"
                        zFract="0.11505692"/>
                  <atom elementType="O"
                        id="a49"
                        x3="9.94636"
                        xFract="0.70063785"
                        y3="2.48514"
                        yFract="0.47242673"
                        z3="9.78774"
                        zFract="0.34758917"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a48" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a44" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a3 a41" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a4 a49" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a11 a40" order="S"/>
                  <bond atomRefs2="a11 a49" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a13 a25" order="S"/>
                  <bond atomRefs2="a13 a33" order="S"/>
                  <bond atomRefs2="a13 a43" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a14 a43" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a43" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a19 a44" order="S"/>
                  <bond atomRefs2="a20 a44" order="S"/>
                  <bond atomRefs2="a21 a44" order="S"/>
                  <bond atomRefs2="a22 a46" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a24 a46" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a39" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a46" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a27 a48" order="S"/>
                  <bond atomRefs2="a28 a46" order="S"/>
                  <bond atomRefs2="a28 a48" order="S"/>
                  <bond atomRefs2="a29 a48" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a31 a47" order="S"/>
                  <bond atomRefs2="a32 a47" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a45" order="S"/>
                  <bond atomRefs2="a34 a40" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a45" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a39 a47" order="S"/>
               </bondArray>
               <formula concise="Cu40O9">
                  <atomArray count="40 9" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2685.834600000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.9O">
                  <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;47;48;49/rA:49CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OO4O4O3O4O4O4O3/rB:;;;s4;s5;s6;s5s6s7;s6;s4;;;;s2s8s10;s10;;;;;;s14;;;;s13;s24;;s24;;s23s24;;s25;s13s25;;s26;s33s34;;s26s30s34s36;s12s25;s11s12s34s36;s3s16s17s18;s3s27;s13s14s15s17;s2s19s20s21;s33s35s36;s22s24s25s28;s31s32s37s39;s1s27s28s29;s4s9s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
