<?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">2022-08-04T00:33:45.000</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="2.408491"
                        xFract="0.13166917"
                        y3="1.40111393"
                        yFract="0.26635267"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.51972132"
                        xFract="0.71500251"
                        y3="4.90802805"
                        yFract="0.93301933"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.48264451"
                        xFract="0.63166917"
                        y3="1.40111393"
                        yFract="0.26635267"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.00118295"
                        xFract="0.71500251"
                        y3="2.27784243"
                        yFract="0.43301933"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.0382597"
                        xFract="0.96500251"
                        y3="2.27784243"
                        yFract="0.43301933"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.51972132"
                        xFract="0.71500251"
                        y3="4.90802805"
                        yFract="0.93301933"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.55679808"
                        xFract="0.96500251"
                        y3="4.90802805"
                        yFract="0.93301933"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.03825964"
                        xFract="0.88166917"
                        y3="4.03129955"
                        yFract="0.76635267"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.00118289"
                        xFract="0.63166917"
                        y3="4.03129955"
                        yFract="0.76635267"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.51972126"
                        xFract="0.88166917"
                        y3="1.40111393"
                        yFract="0.26635267"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.48264451"
                        xFract="0.63166917"
                        y3="1.40111393"
                        yFract="0.26635267"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="6.96410616"
                        xFract="0.54833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.48264454"
                        xFract="0.54833584"
                        y3="3.15457099"
                        yFract="0.599686"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.51972129"
                        xFract="0.79833584"
                        y3="3.15457099"
                        yFract="0.599686"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.00118292"
                        xFract="0.79833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.51972126"
                        xFract="0.88166917"
                        y3="1.40111393"
                        yFract="0.26635267"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.00118295"
                        xFract="0.71500251"
                        y3="2.27784243"
                        yFract="0.43301933"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.00118289"
                        xFract="0.63166917"
                        y3="4.03129955"
                        yFract="0.76635267"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.55679808"
                        xFract="0.96500251"
                        y3="4.90802805"
                        yFract="0.93301933"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.03825964"
                        xFract="0.88166917"
                        y3="4.03129955"
                        yFract="0.76635267"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.0382597"
                        xFract="0.96500251"
                        y3="2.27784243"
                        yFract="0.43301933"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.92702941"
                        xFract="0.29833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.88995266"
                        xFract="0.04833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.40849103"
                        xFract="0.04833584"
                        y3="3.15457099"
                        yFract="0.599686"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.44556779"
                        xFract="0.29833584"
                        y3="3.15457099"
                        yFract="0.599686"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="3.92702938"
                        xFract="0.13166917"
                        y3="4.03129955"
                        yFract="0.76635267"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.44556776"
                        xFract="0.38166917"
                        y3="1.40111393"
                        yFract="0.26635267"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="3.92702944"
                        xFract="0.21500251"
                        y3="2.27784243"
                        yFract="0.43301933"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="3.92702938"
                        xFract="0.13166917"
                        y3="4.03129955"
                        yFract="0.76635267"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.408491"
                        xFract="0.13166917"
                        y3="1.40111393"
                        yFract="0.26635267"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.96410613"
                        xFract="0.38166917"
                        y3="4.03129955"
                        yFract="0.76635267"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.44556782"
                        xFract="0.21500251"
                        y3="4.90802805"
                        yFract="0.93301933"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="6.96410613"
                        xFract="0.38166917"
                        y3="4.03129955"
                        yFract="0.76635267"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.48264457"
                        xFract="0.46500251"
                        y3="4.90802805"
                        yFract="0.93301933"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.44556782"
                        xFract="0.21500251"
                        y3="4.90802805"
                        yFract="0.93301933"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="6.96410619"
                        xFract="0.46500251"
                        y3="2.27784243"
                        yFract="0.43301933"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.48264457"
                        xFract="0.46500251"
                        y3="4.90802805"
                        yFract="0.93301933"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.92702944"
                        xFract="0.21500251"
                        y3="2.27784243"
                        yFract="0.43301933"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.96410619"
                        xFract="0.46500251"
                        y3="2.27784243"
                        yFract="0.43301933"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.44556776"
                        xFract="0.38166917"
                        y3="1.40111393"
                        yFract="0.26635267"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="O"
                        id="a41"
                        x3="6.96410616"
                        xFract="0.54833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="5.71964407"
                        zFract="0.20312006"/>
                  <atom elementType="O"
                        id="a42"
                        x3="6.96410616"
                        xFract="0.54833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a43"
                        x3="6.96410616"
                        xFract="0.54833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="13.15893246"
                        zFract="0.46730935"/>
                  <atom elementType="O"
                        id="a44"
                        x3="0.88995266"
                        xFract="0.04833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="13.15893246"
                        zFract="0.46730935"/>
                  <atom elementType="O"
                        id="a45"
                        x3="3.92702944"
                        xFract="0.21500251"
                        y3="2.27784243"
                        yFract="0.43301933"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.88995266"
                        xFract="0.04833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.88995266"
                        xFract="0.04833584"
                        y3="0.52438537"
                        yFract="0.099686"
                        z3="5.71964407"
                        zFract="0.20312006"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a46" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a22 a45" order="S"/>
                  <bond atomRefs2="a23 a47" order="S"/>
                  <bond atomRefs2="a24 a45" order="S"/>
                  <bond atomRefs2="a25 a45" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a28 a45" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
               </bondArray>
               <formula concise="Cu40O7">
                  <atomArray count="40 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2653.8358000000007</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.7O">
                  <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/rA:47CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOOO1O0O4O1O1/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s12s39;s3s27;s36;;s22s24s25s28;s1;s23;/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">482.0000</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 7</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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0.597814 -1.359544 -0.585373 -0.830626 -0.043817 0.025298 1.232302 -0.172824 1.470086 -0.830626 0.019281 0.034697 0.079269 0.149106 -0.086086 -0.032651 0.102650 -0.059265 0.301697 -0.020408 -0.034046 0.079269 -0.017086 0.071144 -0.091105 -0.683278 0.394491 0.710208 -0.014487 0.008364 -1.422176 0.016684 -0.813810 0.702904 -0.070155 -0.020775 -0.091105 0.032503 -0.018766 1.311031 1.383661 -0.798857 -0.521651 0.048849 -0.028203 0.073225 -0.050500 0.013414 0.007789 0.038308 -0.022117 -0.111599 -0.036867 0.037027 0.007789 -1.293650 -0.821190 -0.502202 -0.104747 0.060476 -0.016399 0.064347 1.530929 -0.502202 0.149442 -0.086281 -0.073565 -0.384737 0.222128 0.029730 -0.078165 0.045129 -0.134235 -0.081452 0.047027 -0.098827 -0.085094 0.049129 -0.009109 -0.105113 0.060687 -0.025379 0.062372 -0.036011 -0.095885 0.272692 -0.157439 0.025924</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">-174.65937272</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-174.64994345</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-174.65465809</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.4084</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2374131E-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="2.40849"
                        xFract="0.13166927"
                        y3="1.40111"
                        yFract="0.26635192"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.51972"
                        xFract="0.71500231"
                        y3="4.90803"
                        yFract="0.9330197"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.48264"
                        xFract="0.63166899"
                        y3="1.40111"
                        yFract="0.26635192"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="9.78645"
                        xFract="0.6914345"
                        y3="2.40182"
                        yFract="0.45658755"
                        z3="11.04943"
                        zFract="0.3923952"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="12.34535"
                        xFract="0.88613439"
                        y3="2.73719"
                        yFract="0.5203416"
                        z3="11.07792"
                        zFract="0.39340696"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.27061"
                        xFract="0.6876615"
                        y3="5.05185"
                        yFract="0.96035998"
                        z3="11.0552"
                        zFract="0.39260011"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="10.77546"
                        xFract="0.88613443"
                        y3="0.01806"
                        yFract="0.00343322"
                        z3="11.07792"
                        zFract="0.39340696"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.55578"
                        xFract="0.82871475"
                        y3="4.30986"
                        yFract="0.81930719"
                        z3="9.03264"
                        zFract="0.32077352"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.96315"
                        xFract="0.6410423"
                        y3="3.7682"
                        yFract="0.71633727"
                        z3="9.04945"
                        zFract="0.32137049"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.30598"
                        xFract="0.85820995"
                        y3="1.52452"
                        yFract="0.28981225"
                        z3="9.10175"
                        zFract="0.32322781"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.69148"
                        xFract="0.64104244"
                        y3="1.5656"
                        yFract="0.29762158"
                        z3="9.04945"
                        zFract="0.32137049"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.75084"
                        xFract="0.63468375"
                        y3="0.07016"
                        yFract="0.01333746"
                        z3="7.42777"
                        zFract="0.26378024"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.40882"
                        xFract="0.54023295"
                        y3="3.1972"
                        yFract="0.6077898"
                        z3="7.03478"
                        zFract="0.2498241"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.52896"
                        xFract="0.80905718"
                        y3="2.94498"
                        yFract="0.55984262"
                        z3="7.05899"
                        zFract="0.25068386"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.18731"
                        xFract="0.8090569"
                        y3="0.62118"
                        yFract="0.11808672"
                        z3="7.05899"
                        zFract="0.25068386"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.51972"
                        xFract="0.88166925"
                        y3="1.40111"
                        yFract="0.26635192"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.00118"
                        xFract="0.71500238"
                        y3="2.27784"
                        yFract="0.43301887"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.00118"
                        xFract="0.63166891"
                        y3="4.0313"
                        yFract="0.76635276"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.5568"
                        xFract="0.96500258"
                        y3="4.90803"
                        yFract="0.9330197"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.03826"
                        xFract="0.88166918"
                        y3="4.0313"
                        yFract="0.76635276"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.03826"
                        xFract="0.96500265"
                        y3="2.27784"
                        yFract="0.43301887"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.81105"
                        xFract="0.29882122"
                        y3="0.31329"
                        yFract="0.05955663"
                        z3="7.28618"
                        zFract="0.258752"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.9472"
                        xFract="0.05461917"
                        y3="0.49133"
                        yFract="0.09340215"
                        z3="7.65635"
                        zFract="0.27189774"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.03218"
                        xFract="0.00703415"
                        y3="3.37183"
                        yFract="0.64098708"
                        z3="7.02761"
                        zFract="0.24956947"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.57039"
                        xFract="0.29882104"
                        y3="3.36056"
                        yFract="0.63884465"
                        z3="7.28618"
                        zFract="0.258752"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.93846"
                        xFract="0.04111839"
                        y3="4.22437"
                        yFract="0.80305549"
                        z3="9.20628"
                        zFract="0.32693995"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.44557"
                        xFract="0.38166954"
                        y3="1.40111"
                        yFract="0.26635192"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="3.92703"
                        xFract="0.21500267"
                        y3="2.27784"
                        yFract="0.43301887"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="3.92703"
                        xFract="0.1316692"
                        y3="4.0313"
                        yFract="0.76635276"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="1.7470"
                        xFract="0.04111843"
                        y3="2.1607"
                        yFract="0.41075048"
                        z3="9.20628"
                        zFract="0.32693995"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.96411"
                        xFract="0.38166947"
                        y3="4.0313"
                        yFract="0.76635276"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.44557"
                        xFract="0.2150026"
                        y3="4.90803"
                        yFract="0.9330197"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.1204"
                        xFract="0.3988233"
                        y3="3.94106"
                        yFract="0.74919807"
                        z3="9.12636"
                        zFract="0.32410177"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.57107"
                        xFract="0.48179626"
                        y3="4.70782"
                        yFract="0.89495965"
                        z3="10.94565"
                        zFract="0.38870969"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.00227"
                        xFract="0.1663488"
                        y3="5.16396"
                        yFract="0.98167216"
                        z3="10.09669"
                        zFract="0.35856082"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="7.1817"
                        xFract="0.48179581"
                        y3="2.30137"
                        yFract="0.43749194"
                        z3="10.94565"
                        zFract="0.38870969"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.48264"
                        xFract="0.46500204"
                        y3="4.90803"
                        yFract="0.9330197"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.17539"
                        xFract="0.24226131"
                        y3="2.13445"
                        yFract="0.40576034"
                        z3="9.8039"
                        zFract="0.34816306"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="6.96411"
                        xFract="0.46500294"
                        y3="2.27784"
                        yFract="0.43301887"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="6.09548"
                        xFract="0.45299992"
                        y3="1.02589"
                        yFract="0.19502236"
                        z3="8.92781"
                        zFract="0.31705073"/>
                  <atom elementType="O"
                        id="a41"
                        x3="6.96411"
                        xFract="0.54833594"
                        y3="0.52439"
                        yFract="0.09968688"
                        z3="5.71964"
                        zFract="0.20311992"/>
                  <atom elementType="O"
                        id="a42"
                        x3="6.96411"
                        xFract="0.54833594"
                        y3="0.52439"
                        yFract="0.09968688"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a43"
                        x3="6.72502"
                        xFract="0.52209511"
                        y3="0.66242"
                        yFract="0.12592647"
                        z3="11.80846"
                        zFract="0.41935041"/>
                  <atom elementType="O"
                        id="a44"
                        x3="0.42891"
                        xFract="-0.00226581"
                        y3="0.79057"
                        yFract="0.15028787"
                        z3="11.1666"
                        zFract="0.39655623"/>
                  <atom elementType="O"
                        id="a45"
                        x3="3.92891"
                        xFract="0.21520875"
                        y3="2.27676"
                        yFract="0.43281356"
                        z3="6.95397"
                        zFract="0.24695432"/>
                  <atom elementType="O"
                        id="a46"
                        x3="0.88995"
                        xFract="0.0483354"
                        y3="0.52439"
                        yFract="0.09968688"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a47"
                        x3="0.88995"
                        xFract="0.0483354"
                        y3="0.52439"
                        yFract="0.09968688"
                        z3="5.71964"
                        zFract="0.20311992"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a46" order="S"/>
                  <bond atomRefs2="a3 a42" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a4 a36" order="S"/>
                  <bond atomRefs2="a4 a34" order="S"/>
                  <bond atomRefs2="a4 a7" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a11" order="S"/>
                  <bond atomRefs2="a4 a9" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a10" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a10" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a11" order="S"/>
                  <bond atomRefs2="a9 a34" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a40" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a36" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a12 a41" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a13 a33" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a22 a45" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a23 a47" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a45" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a27 a42" order="S"/>
                  <bond atomRefs2="a28 a45" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a43" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
                  <bond atomRefs2="a39 a41" order="S"/>
               </bondArray>
               <formula concise="Cu40O7">
                  <atomArray count="40 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2653.8358000000007</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.7O">
                  <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/rA:47CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOOO1O0O3O1O1/rB:;;;s4;s5;s4;s5s6;s4s8;s4s5s7s9;s4s9s10;s11;s9s11;s8s9s10;s10s11s12s14;;s13s14s15;;;;s14;;;;;s24;;;;s23s24s26;;s25;s13s25;s4s9s33;s26s33;s4s11s33;s13;s26s30;s13;s11s12s36s38;s12s39;s3s27;s36;;s22s25s28;s1;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
