<?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">2022-08-04T00:43:51.000</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="2.57967319"
                        xFract="0.14156558"
                        y3="1.48937501"
                        yFract="0.28313116"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.69090342"
                        xFract="0.72489891"
                        y3="4.99628919"
                        yFract="0.94979783"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.6538267"
                        xFract="0.64156558"
                        y3="1.48937501"
                        yFract="0.28313116"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.17236505"
                        xFract="0.72489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.2094418"
                        xFract="0.97489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.69090342"
                        xFract="0.72489891"
                        y3="4.99628919"
                        yFract="0.94979783"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.72798018"
                        xFract="0.97489891"
                        y3="4.99628919"
                        yFract="0.94979783"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.20944183"
                        xFract="0.89156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.17236508"
                        xFract="0.64156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.69090345"
                        xFract="0.89156558"
                        y3="1.48937501"
                        yFract="0.28313116"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.6538267"
                        xFract="0.64156558"
                        y3="1.48937501"
                        yFract="0.28313116"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.13528835"
                        xFract="0.55823225"
                        y3="0.61264645"
                        yFract="0.11646449"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.65382673"
                        xFract="0.55823225"
                        y3="3.24283208"
                        yFract="0.61646449"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.69090348"
                        xFract="0.80823225"
                        y3="3.24283208"
                        yFract="0.61646449"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.17236511"
                        xFract="0.80823225"
                        y3="0.61264645"
                        yFract="0.11646449"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.69090345"
                        xFract="0.89156558"
                        y3="1.48937501"
                        yFract="0.28313116"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.17236505"
                        xFract="0.72489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.17236508"
                        xFract="0.64156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.72798018"
                        xFract="0.97489891"
                        y3="4.99628919"
                        yFract="0.94979783"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.20944183"
                        xFract="0.89156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.2094418"
                        xFract="0.97489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.0982116"
                        xFract="0.30823225"
                        y3="0.61264645"
                        yFract="0.11646449"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.06113485"
                        xFract="0.05823225"
                        y3="0.61264645"
                        yFract="0.11646449"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.57967322"
                        xFract="0.05823225"
                        y3="3.24283208"
                        yFract="0.61646449"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.61674998"
                        xFract="0.30823225"
                        y3="3.24283208"
                        yFract="0.61646449"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.09821157"
                        xFract="0.14156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.61674995"
                        xFract="0.39156558"
                        y3="1.48937501"
                        yFract="0.28313116"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.09821154"
                        xFract="0.22489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.09821157"
                        xFract="0.14156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.57967319"
                        xFract="0.14156558"
                        y3="1.48937501"
                        yFract="0.28313116"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.13528832"
                        xFract="0.39156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.61674992"
                        xFract="0.22489891"
                        y3="4.99628919"
                        yFract="0.94979783"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.13528832"
                        xFract="0.39156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.65382667"
                        xFract="0.47489891"
                        y3="4.99628919"
                        yFract="0.94979783"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.61674992"
                        xFract="0.22489891"
                        y3="4.99628919"
                        yFract="0.94979783"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="7.13528829"
                        xFract="0.47489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.65382667"
                        xFract="0.47489891"
                        y3="4.99628919"
                        yFract="0.94979783"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.09821154"
                        xFract="0.22489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.13528829"
                        xFract="0.47489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.61674995"
                        xFract="0.39156558"
                        y3="1.48937501"
                        yFract="0.28313116"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="O"
                        id="a41"
                        x3="10.17236505"
                        xFract="0.72489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="6.33958493"
                        zFract="0.22513584"/>
                  <atom elementType="O"
                        id="a42"
                        x3="13.20944183"
                        xFract="0.89156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="3.85982204"
                        zFract="0.13707274"/>
                  <atom elementType="O"
                        id="a43"
                        x3="7.13528832"
                        xFract="0.39156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="11.29911043"
                        zFract="0.40126203"/>
                  <atom elementType="O"
                        id="a44"
                        x3="7.13528832"
                        xFract="0.39156558"
                        y3="4.11956063"
                        yFract="0.78313116"
                        z3="3.85982204"
                        zFract="0.13707274"/>
                  <atom elementType="O"
                        id="a45"
                        x3="1.06113485"
                        xFract="0.05823225"
                        y3="0.61264645"
                        yFract="0.11646449"
                        z3="8.81934754"
                        zFract="0.31319893"/>
                  <atom elementType="O"
                        id="a46"
                        x3="10.17236505"
                        xFract="0.72489891"
                        y3="2.36610357"
                        yFract="0.44979783"
                        z3="10.05922899"
                        zFract="0.35723048"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a4 a46" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a10 a46" order="S"/>
                  <bond atomRefs2="a11 a46" order="S"/>
                  <bond atomRefs2="a13 a41" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a19 a42" order="S"/>
                  <bond atomRefs2="a20 a42" order="S"/>
                  <bond atomRefs2="a21 a42" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a30 a45" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a43" order="S"/>
                  <bond atomRefs2="a34 a43" order="S"/>
                  <bond atomRefs2="a35 a43" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a39 a44" 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:46CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4O4OO4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s13s14s15s17;s2s19s20s21;s33s34s35s36;s31s32s37s39;s23s30;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">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">-165.90037308</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-165.88871872</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-165.89454590</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.1750</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2912466E-02</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="2.57967"
                        xFract="0.14156508"
                        y3="1.48938"
                        yFract="0.28313211"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.6909"
                        xFract="0.72489859"
                        y3="4.99629"
                        yFract="0.94979798"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.65383"
                        xFract="0.64156561"
                        y3="1.48938"
                        yFract="0.28313211"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.08781"
                        xFract="0.82537332"
                        y3="1.83757"
                        yFract="0.34932325"
                        z3="10.63974"
                        zFract="0.377846"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="1.30402"
                        xFract="-0.01078256"
                        y3="2.48551"
                        yFract="0.47249707"
                        z3="10.23468"
                        zFract="0.36346122"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="12.19863"
                        xFract="0.78062442"
                        y3="4.70315"
                        yFract="0.89407188"
                        z3="9.90335"
                        zFract="0.35169479"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="2.5977"
                        xFract="-0.01078306"
                        y3="4.72624"
                        yFract="0.8984613"
                        z3="10.23468"
                        zFract="0.36346122"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.55596"
                        xFract="0.92959748"
                        y3="3.9195"
                        yFract="0.7450995"
                        z3="8.12049"
                        zFract="0.2883806"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.95869"
                        xFract="0.60782863"
                        y3="4.45934"
                        yFract="0.84772344"
                        z3="8.64333"
                        zFract="0.30694807"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.41543"
                        xFract="0.86133107"
                        y3="1.64842"
                        yFract="0.31336572"
                        z3="8.3072"
                        zFract="0.29501118"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.25273"
                        xFract="0.60782819"
                        y3="1.50454"
                        yFract="0.28601403"
                        z3="8.64333"
                        zFract="0.30694807"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.10802"
                        xFract="0.55523941"
                        y3="0.62839"
                        yFract="0.11945735"
                        z3="6.30866"
                        zFract="0.22403761"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.31972"
                        xFract="0.52156242"
                        y3="3.43573"
                        yFract="0.65313451"
                        z3="6.64622"
                        zFract="0.23602528"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.56743"
                        xFract="0.77785748"
                        y3="3.6681"
                        yFract="0.6973082"
                        z3="6.65443"
                        zFract="0.23631684"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.74233"
                        xFract="0.77785672"
                        y3="0.50695"
                        yFract="0.09637153"
                        z3="6.65443"
                        zFract="0.23631684"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.6909"
                        xFract="0.89156506"
                        y3="1.48938"
                        yFract="0.28313211"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.17237"
                        xFract="0.72489949"
                        y3="2.3661"
                        yFract="0.44979715"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.17237"
                        xFract="0.64156602"
                        y3="4.11956"
                        yFract="0.78313104"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.72798"
                        xFract="0.97489886"
                        y3="4.99629"
                        yFract="0.94979798"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.20944"
                        xFract="0.89156546"
                        y3="4.11956"
                        yFract="0.78313104"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.20944"
                        xFract="0.97489893"
                        y3="2.3661"
                        yFract="0.44979715"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.18578"
                        xFract="0.31171344"
                        y3="0.69107"
                        yFract="0.13137286"
                        z3="6.38649"
                        zFract="0.22680157"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.12831"
                        xFract="0.06560517"
                        y3="0.57386"
                        yFract="0.10909116"
                        z3="6.12833"
                        zFract="0.2176336"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.79785"
                        xFract="0.08217806"
                        y3="3.11687"
                        yFract="0.59251902"
                        z3="6.27151"
                        zFract="0.22271831"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.59262"
                        xFract="0.31171336"
                        y3="3.12779"
                        yFract="0.59459492"
                        z3="6.38649"
                        zFract="0.22680157"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.04966"
                        xFract="0.1459558"
                        y3="3.94309"
                        yFract="0.74958398"
                        z3="8.24706"
                        zFract="0.29287545"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.61675"
                        xFract="0.39156535"
                        y3="1.48938"
                        yFract="0.28313211"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.09821"
                        xFract="0.22489895"
                        y3="2.3661"
                        yFract="0.44979715"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.09821"
                        xFract="0.14156548"
                        y3="4.11956"
                        yFract="0.78313104"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.70822"
                        xFract="0.1459557"
                        y3="1.61965"
                        yFract="0.30789652"
                        z3="8.24706"
                        zFract="0.29287545"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.13529"
                        xFract="0.39156575"
                        y3="4.11956"
                        yFract="0.78313104"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.61675"
                        xFract="0.22489888"
                        y3="4.99629"
                        yFract="0.94979798"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="6.81226"
                        xFract="0.35611177"
                        y3="4.30606"
                        yFract="0.81858481"
                        z3="8.33238"
                        zFract="0.29590539"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="5.11781"
                        xFract="0.40300563"
                        y3="0.38447"
                        yFract="0.073088"
                        z3="10.26652"
                        zFract="0.36459195"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="2.03198"
                        xFract="0.16478697"
                        y3="0.05213"
                        yFract="0.00990995"
                        z3="10.40742"
                        zFract="0.36959569"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="6.32416"
                        xFract="0.40300608"
                        y3="2.47392"
                        yFract="0.4702938"
                        z3="10.26652"
                        zFract="0.36459195"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.65383"
                        xFract="0.47489915"
                        y3="4.99629"
                        yFract="0.94979798"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.84157"
                        xFract="0.19673157"
                        y3="2.51427"
                        yFract="0.47796436"
                        z3="10.2122"
                        zFract="0.3626629"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.13529"
                        xFract="0.47489922"
                        y3="2.3661"
                        yFract="0.44979715"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.70712"
                        xFract="0.40148411"
                        y3="1.4372"
                        yFract="0.27321266"
                        z3="8.19846"
                        zFract="0.29114953"/>
                  <atom elementType="O"
                        id="a41"
                        x3="10.03424"
                        xFract="0.70973905"
                        y3="2.44585"
                        yFract="0.46495768"
                        z3="6.35413"
                        zFract="0.22565237"/>
                  <atom elementType="O"
                        id="a42"
                        x3="13.20944"
                        xFract="0.89156546"
                        y3="4.11956"
                        yFract="0.78313104"
                        z3="3.85982"
                        zFract="0.13707267"/>
                  <atom elementType="O"
                        id="a43"
                        x3="6.7552"
                        xFract="0.34984886"
                        y3="4.33901"
                        yFract="0.82484863"
                        z3="10.34082"
                        zFract="0.36723054"/>
                  <atom elementType="O"
                        id="a44"
                        x3="7.13529"
                        xFract="0.39156575"
                        y3="4.11956"
                        yFract="0.78313104"
                        z3="3.85982"
                        zFract="0.13707267"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.92095"
                        xFract="0.04284641"
                        y3="0.69358"
                        yFract="0.13185001"
                        z3="7.97654"
                        zFract="0.28326855"/>
                  <atom elementType="O"
                        id="a46"
                        x3="9.88735"
                        xFract="0.69361752"
                        y3="2.53065"
                        yFract="0.48107821"
                        z3="9.24847"
                        zFract="0.32843823"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a4 a46" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a30" order="S"/>
                  <bond atomRefs2="a5 a35" order="S"/>
                  <bond atomRefs2="a5 a38" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a38" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a46" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a46" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a40" order="S"/>
                  <bond atomRefs2="a11 a46" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a13 a33" order="S"/>
                  <bond atomRefs2="a13 a41" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a19 a42" order="S"/>
                  <bond atomRefs2="a20 a42" order="S"/>
                  <bond atomRefs2="a21 a42" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a28" order="S"/>
                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a23 a45" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a39" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a28" order="S"/>
                  <bond atomRefs2="a25 a40" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a45" order="S"/>
                  <bond atomRefs2="a31 a44" order="S"/>
                  <bond atomRefs2="a32 a44" order="S"/>
                  <bond atomRefs2="a33 a43" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a34 a40" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a37 a44" order="S"/>
                  <bond atomRefs2="a39 a44" 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:46CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4OO4OO4/rB:;;;;;s5;s6;s6;s4;;;;s2s8s9s10;s10s11s12;;;;;;;;;;;s7s24s25;;s22s24s25;;s5s22s24s26;;s25;s13s25;;s5;s34;;s5s7s26s30s34s36;s12s25;s11s12s22s25s34s36;s13s14s15s17;s2s19s20s21;s33s36;s31s32s37s39;s23s30;s4s9s10s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
