<?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">2022-08-03T17:27:50.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">8.59015027</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">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.13187351"
                        xFract="0.24817651"
                        y3="2.10054549"
                        yFract="0.24452954"
                        z3="4.18542693"
                        zFract="0.48723559"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.42694865"
                        xFract="0.74817651"
                        y3="6.39562063"
                        yFract="0.74452954"
                        z3="4.18542693"
                        zFract="0.48723559"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.57448622"
                        xFract="0.99817651"
                        y3="6.39562063"
                        yFract="0.74452954"
                        z3="2.03788937"
                        zFract="0.23723559"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.57448622"
                        xFract="0.99817651"
                        y3="4.24808306"
                        yFract="0.49452954"
                        z3="4.18542693"
                        zFract="0.48723559"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.42694865"
                        xFract="0.74817651"
                        y3="4.24808306"
                        yFract="0.49452954"
                        z3="2.03788937"
                        zFract="0.23723559"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.57448622"
                        xFract="0.99817651"
                        y3="2.10054549"
                        yFract="0.24452954"
                        z3="2.03788937"
                        zFract="0.23723559"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.42694865"
                        xFract="0.74817651"
                        y3="2.10054549"
                        yFract="0.24452954"
                        z3="4.18542693"
                        zFract="0.48723559"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.42694865"
                        xFract="0.74817651"
                        y3="8.5431582"
                        yFract="0.99452954"
                        z3="2.03788937"
                        zFract="0.23723559"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.57448622"
                        xFract="0.99817651"
                        y3="8.5431582"
                        yFract="0.99452954"
                        z3="4.18542693"
                        zFract="0.48723559"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="4.27941108"
                        xFract="0.49817651"
                        y3="8.5431582"
                        yFract="0.99452954"
                        z3="8.48050207"
                        zFract="0.98723559"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.13187351"
                        xFract="0.24817651"
                        y3="8.5431582"
                        yFract="0.99452954"
                        z3="6.3329645"
                        zFract="0.73723559"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.27941108"
                        xFract="0.49817651"
                        y3="6.39562063"
                        yFract="0.74452954"
                        z3="6.3329645"
                        zFract="0.73723559"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.13187351"
                        xFract="0.24817651"
                        y3="6.39562063"
                        yFract="0.74452954"
                        z3="8.48050207"
                        zFract="0.98723559"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.57448622"
                        xFract="0.99817651"
                        y3="4.24808306"
                        yFract="0.49452954"
                        z3="8.48050207"
                        zFract="0.98723559"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.42694865"
                        xFract="0.74817651"
                        y3="4.24808306"
                        yFract="0.49452954"
                        z3="6.3329645"
                        zFract="0.73723559"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.27941108"
                        xFract="0.49817651"
                        y3="8.5431582"
                        yFract="0.99452954"
                        z3="4.18542693"
                        zFract="0.48723559"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.13187351"
                        xFract="0.24817651"
                        y3="8.5431582"
                        yFract="0.99452954"
                        z3="2.03788937"
                        zFract="0.23723559"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.27941108"
                        xFract="0.49817651"
                        y3="6.39562063"
                        yFract="0.74452954"
                        z3="2.03788937"
                        zFract="0.23723559"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="2.13187351"
                        xFract="0.24817651"
                        y3="6.39562063"
                        yFract="0.74452954"
                        z3="4.18542693"
                        zFract="0.48723559"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.42694865"
                        xFract="0.74817651"
                        y3="6.39562063"
                        yFract="0.74452954"
                        z3="8.48050207"
                        zFract="0.98723559"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.57448622"
                        xFract="0.99817651"
                        y3="6.39562063"
                        yFract="0.74452954"
                        z3="6.3329645"
                        zFract="0.73723559"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.27941108"
                        xFract="0.49817651"
                        y3="4.24808306"
                        yFract="0.49452954"
                        z3="8.48050207"
                        zFract="0.98723559"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.13187351"
                        xFract="0.24817651"
                        y3="4.24808306"
                        yFract="0.49452954"
                        z3="6.3329645"
                        zFract="0.73723559"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.27941108"
                        xFract="0.49817651"
                        y3="2.10054549"
                        yFract="0.24452954"
                        z3="6.3329645"
                        zFract="0.73723559"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.13187351"
                        xFract="0.24817651"
                        y3="2.10054549"
                        yFract="0.24452954"
                        z3="8.48050207"
                        zFract="0.98723559"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.42694865"
                        xFract="0.74817651"
                        y3="8.5431582"
                        yFract="0.99452954"
                        z3="6.3329645"
                        zFract="0.73723559"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="8.57448622"
                        xFract="0.99817651"
                        y3="8.5431582"
                        yFract="0.99452954"
                        z3="8.48050207"
                        zFract="0.98723559"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.27941108"
                        xFract="0.49817651"
                        y3="4.24808306"
                        yFract="0.49452954"
                        z3="4.18542693"
                        zFract="0.48723559"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.13187351"
                        xFract="0.24817651"
                        y3="4.24808306"
                        yFract="0.49452954"
                        z3="2.03788937"
                        zFract="0.23723559"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.27941108"
                        xFract="0.49817651"
                        y3="2.10054549"
                        yFract="0.24452954"
                        z3="2.03788937"
                        zFract="0.23723559"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.42694865"
                        xFract="0.74817651"
                        y3="2.10054549"
                        yFract="0.24452954"
                        z3="8.48050207"
                        zFract="0.98723559"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.57448622"
                        xFract="0.99817651"
                        y3="2.10054549"
                        yFract="0.24452954"
                        z3="6.3329645"
                        zFract="0.73723559"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.50071743"
                        xFract="0.87317651"
                        y3="7.46938941"
                        yFract="0.86952954"
                        z3="3.11165815"
                        zFract="0.36223559"/>
                  <atom elementType="O"
                        id="a34"
                        x3="5.35317987"
                        xFract="0.62317651"
                        y3="5.32185185"
                        yFract="0.61952954"
                        z3="0.96412058"
                        zFract="0.11223559"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.35317987"
                        xFract="0.62317651"
                        y3="1.02677671"
                        yFract="0.11952954"
                        z3="0.96412058"
                        zFract="0.11223559"/>
                  <atom elementType="O"
                        id="a36"
                        x3="7.50071743"
                        xFract="0.87317651"
                        y3="3.17431428"
                        yFract="0.36952954"
                        z3="3.11165815"
                        zFract="0.36223559"/>
                  <atom elementType="O"
                        id="a37"
                        x3="7.50071743"
                        xFract="0.87317651"
                        y3="7.46938941"
                        yFract="0.86952954"
                        z3="7.40673329"
                        zFract="0.86223559"/>
                  <atom elementType="O"
                        id="a38"
                        x3="1.05810473"
                        xFract="0.12317651"
                        y3="5.32185185"
                        yFract="0.61952954"
                        z3="0.96412058"
                        zFract="0.11223559"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.2056423"
                        xFract="0.37317651"
                        y3="7.46938941"
                        yFract="0.86952954"
                        z3="3.11165815"
                        zFract="0.36223559"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.05810473"
                        xFract="0.12317651"
                        y3="1.02677671"
                        yFract="0.11952954"
                        z3="5.25919572"
                        zFract="0.61223559"/>
                  <atom elementType="O"
                        id="a41"
                        x3="7.50071743"
                        xFract="0.87317651"
                        y3="3.17431428"
                        yFract="0.36952954"
                        z3="7.40673329"
                        zFract="0.86223559"/>
                  <atom elementType="O"
                        id="a42"
                        x3="5.35317987"
                        xFract="0.62317651"
                        y3="5.32185185"
                        yFract="0.61952954"
                        z3="5.25919572"
                        zFract="0.61223559"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a40" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a4 a36" order="S"/>
                  <bond atomRefs2="a5 a36" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a6 a36" order="S"/>
                  <bond atomRefs2="a7 a36" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a14 a41" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a17 a39" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a18 a39" order="S"/>
                  <bond atomRefs2="a19 a39" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a21 a37" order="S"/>
                  <bond atomRefs2="a26 a37" order="S"/>
                  <bond atomRefs2="a27 a37" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a31 a41" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
               </bondArray>
               <formula concise="Cu32O10">
                  <atomArray count="32 10" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2193.4660000000026</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.10O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OO1O4O4O1O4O1O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s2s3s8s9;s5s18;s30;s4s5s6s7;s20s21s26s27;s29;s16s17s18s19;s1;s14s15s31s32;s2s12s15s28;/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">412.0000</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">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</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">32 10</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">4 4 4</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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0.017878 -0.004191 -0.005953 -0.008597 0.003616 0.018062 -0.015292 -0.010228 -0.002423 -0.002423 -0.000105 0.004922 0.001168 0.010550 0.005719 0.005719 0.000160 0.001290 -0.004453 0.001172 -0.004633 -0.004633 0.000160 -0.004453 0.001290 -0.014747 -0.009417 0.008539 0.000954 -0.002474 -0.003223 -0.019707 -0.006643 -0.006643 0.008879 -0.001564 -0.005969 0.003502 0.011472 0.011472 0.008879 -0.005969 -0.001564 -0.000718 -0.004120 0.000774 0.004648 0.005036 0.001614 -0.005066 -0.001715 0.003163 0.003616 -0.015292 0.018062 -0.004191 -0.008597 -0.005953 -0.000105 0.001168 0.004922 0.003555 -0.000198 -0.000198 -0.008460 0.005670 0.005670 0.003191 0.006530 0.006530 0.002428 -0.004585 -0.004313 -0.010039 0.010234 -0.000913 -0.010039 -0.000913 0.010234 -0.008335 0.001085 0.001085 -0.010228 -0.006061 -0.006061 -0.015521 -0.002937 -0.002937 -0.000121 0.008362 0.008362 0.002428 -0.004313 -0.004585</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">-181.42554588</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-181.42554350</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-181.42554469</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">2.7516</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3243770E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.130991132223183</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.053039372400251</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">8.053039372400251</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.79</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">89.91</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">89.91</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.13702"
                        xFract="0.26225981"
                        y3="2.0334"
                        yFract="0.25566299"
                        z3="3.91219"
                        zFract="0.4873706"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.02652"
                        xFract="0.74025229"
                        y3="5.90482"
                        yFract="0.73601417"
                        z3="3.86652"
                        zFract="0.4846345"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="0.34076"
                        xFract="0.04117963"
                        y3="5.89552"
                        yFract="0.73363404"
                        z3="1.78215"
                        zFract="0.22633991"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="0.23627"
                        xFract="0.02828988"
                        y3="4.00993"
                        yFract="0.50144936"
                        z3="4.07729"
                        zFract="0.50975675"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.02733"
                        xFract="0.7407291"
                        y3="3.85367"
                        yFract="0.47964393"
                        z3="1.94648"
                        zFract="0.2444338"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="0.23821"
                        xFract="0.02894963"
                        y3="1.88252"
                        yFract="0.23527695"
                        z3="1.77053"
                        zFract="0.22146543"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.83438"
                        xFract="0.71698393"
                        y3="1.86394"
                        yFract="0.2344082"
                        z3="4.09342"
                        zFract="0.50936575"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.02035"
                        xFract="0.74025305"
                        y3="-0.07296"
                        yFract="-0.00807199"
                        z3="1.84706"
                        zFract="0.22872043"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="-0.06665"
                        xFract="-0.00930112"
                        y3="7.86874"
                        yFract="0.98041231"
                        z3="3.75537"
                        zFract="0.47311819"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="3.83959"
                        xFract="0.47148798"
                        y3="-0.02537"
                        yFract="0.00307927"
                        z3="7.70705"
                        zFract="0.95670398"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.1432"
                        xFract="0.26226028"
                        y3="7.96996"
                        yFract="0.99466558"
                        z3="5.97288"
                        zFract="0.74836949"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.88054"
                        xFract="0.47608898"
                        y3="6.29197"
                        yFract="0.78611117"
                        z3="5.97266"
                        zFract="0.74673127"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.1419"
                        xFract="0.26210276"
                        y3="6.26525"
                        yFract="0.78440569"
                        z3="7.65268"
                        zFract="0.9555148"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="0.38371"
                        xFract="0.04606352"
                        y3="3.93842"
                        yFract="0.49586138"
                        z3="7.9335"
                        zFract="0.98856702"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="5.99461"
                        xFract="0.73631678"
                        y3="3.97175"
                        yFract="0.49771491"
                        z3="5.91554"
                        zFract="0.73743885"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.07363"
                        xFract="0.50059579"
                        y3="0.13738"
                        yFract="0.02020175"
                        z3="4.13246"
                        zFract="0.5129074"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="1.97623"
                        xFract="0.24287241"
                        y3="0.1613"
                        yFract="0.02129668"
                        z3="1.70356"
                        zFract="0.21150068"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="3.99535"
                        xFract="0.49062727"
                        y3="5.98742"
                        yFract="0.74476405"
                        z3="1.87405"
                        zFract="0.23746993"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.98241"
                        xFract="0.24287288"
                        y3="5.76132"
                        yFract="0.71879442"
                        z3="4.10078"
                        zFract="0.51400317"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.03351"
                        xFract="0.74072956"
                        y3="6.00424"
                        yFract="0.75172753"
                        z3="7.79315"
                        zFract="0.97235041"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="0.24438"
                        xFract="0.02894887"
                        y3="5.82829"
                        yFract="0.72875916"
                        z3="5.82199"
                        zFract="0.7279822"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.80538"
                        xFract="0.46693598"
                        y3="3.65751"
                        yFract="0.46039704"
                        z3="7.6526"
                        zFract="0.95310392"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.03484"
                        xFract="0.24932987"
                        y3="3.8870"
                        yFract="0.48755338"
                        z3="5.88238"
                        zFract="0.73363982"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.95429"
                        xFract="0.48558087"
                        y3="1.91521"
                        yFract="0.24251932"
                        z3="5.91029"
                        zFract="0.73522497"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.03484"
                        xFract="0.24932987"
                        y3="1.8873"
                        yFract="0.24093417"
                        z3="7.88208"
                        zFract="0.98025903"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.83438"
                        xFract="0.71698393"
                        y3="0.09834"
                        yFract="0.0166601"
                        z3="5.85902"
                        zFract="0.72711385"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="0.23009"
                        xFract="0.02828941"
                        y3="0.13781"
                        yFract="0.01705026"
                        z3="-0.04783"
                        zFract="-0.00584437"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="3.83959"
                        xFract="0.47148798"
                        y3="3.71196"
                        yFract="0.4639971"
                        z3="3.96972"
                        zFract="0.49578615"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.13572"
                        xFract="0.26210229"
                        y3="3.71321"
                        yFract="0.46280955"
                        z3="2.20748"
                        zFract="0.27711072"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.87437"
                        xFract="0.47608974"
                        y3="2.03318"
                        yFract="0.25402477"
                        z3="2.2342"
                        zFract="0.27881619"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="5.99461"
                        xFract="0.73631678"
                        y3="1.92046"
                        yFract="0.24473321"
                        z3="7.96684"
                        zFract="0.9904218"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="0.00179"
                        xFract="-0.00053403"
                        y3="1.9726"
                        yFract="0.25008649"
                        z3="5.96768"
                        zFract="0.74279214"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.10268"
                        xFract="0.87263884"
                        y3="6.76632"
                        yFract="0.84185296"
                        z3="2.65295"
                        zFract="0.33455883"/>
                  <atom elementType="O"
                        id="a34"
                        x3="4.97428"
                        xFract="0.61123842"
                        y3="4.85032"
                        yFract="0.60248047"
                        z3="0.73695"
                        zFract="0.09518634"/>
                  <atom elementType="O"
                        id="a35"
                        x3="4.83774"
                        xFract="0.59479063"
                        y3="0.99579"
                        yFract="0.12400895"
                        z3="0.96145"
                        zFract="0.11977386"/>
                  <atom elementType="O"
                        id="a36"
                        x3="7.17738"
                        xFract="0.88216223"
                        y3="2.84941"
                        yFract="0.35574398"
                        z3="3.0292"
                        zFract="0.37791714"/>
                  <atom elementType="O"
                        id="a37"
                        x3="7.18356"
                        xFract="0.88216269"
                        y3="7.08696"
                        yFract="0.88521087"
                        z3="6.78888"
                        zFract="0.84844923"/>
                  <atom elementType="O"
                        id="a38"
                        x3="1.6279"
                        xFract="0.19965682"
                        y3="4.96698"
                        yFract="0.617399"
                        z3="0.85361"
                        zFract="0.11010488"/>
                  <atom elementType="O"
                        id="a39"
                        x3="2.93205"
                        xFract="0.35964946"
                        y3="7.07344"
                        yFract="0.88066877"
                        z3="2.96007"
                        zFract="0.37337464"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.96987"
                        xFract="0.11873602"
                        y3="0.87072"
                        yFract="0.11220801"
                        z3="4.8658"
                        zFract="0.60491365"/>
                  <atom elementType="O"
                        id="a41"
                        x3="7.12335"
                        xFract="0.87511234"
                        y3="3.07337"
                        yFract="0.38702605"
                        z3="7.06845"
                        zFract="0.8797317"/>
                  <atom elementType="O"
                        id="a42"
                        x3="4.84391"
                        xFract="0.59478987"
                        y3="5.01921"
                        yFract="0.6270676"
                        z3="4.93527"
                        zFract="0.61671544"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a30" order="S"/>
                  <bond atomRefs2="a1 a29" order="S"/>
                  <bond atomRefs2="a1 a28" order="S"/>
                  <bond atomRefs2="a1 a40" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a2 a42" order="S"/>
                  <bond atomRefs2="a3 a38" order="S"/>
                  <bond atomRefs2="a4 a29" order="S"/>
                  <bond atomRefs2="a4 a23" order="S"/>
                  <bond atomRefs2="a4 a21" order="S"/>
                  <bond atomRefs2="a4 a19" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a5 a36" order="S"/>
                  <bond atomRefs2="a6 a29" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a24" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a7 a16" order="S"/>
                  <bond atomRefs2="a7 a36" order="S"/>
                  <bond atomRefs2="a8 a35" order="S"/>
                  <bond atomRefs2="a10 a24" order="S"/>
                  <bond atomRefs2="a10 a25" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a13 a21" order="S"/>
                  <bond atomRefs2="a14 a23" order="S"/>
                  <bond atomRefs2="a14 a25" order="S"/>
                  <bond atomRefs2="a15 a41" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a24" order="S"/>
                  <bond atomRefs2="a16 a26" order="S"/>
                  <bond atomRefs2="a17 a27" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a18 a39" order="S"/>
                  <bond atomRefs2="a19 a23" order="S"/>
                  <bond atomRefs2="a19 a21" order="S"/>
                  <bond atomRefs2="a19 a39" order="S"/>
                  <bond atomRefs2="a20 a37" order="S"/>
                  <bond atomRefs2="a21 a23" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a23 a28" order="S"/>
                  <bond atomRefs2="a24 a28" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a28 a29" order="S"/>
                  <bond atomRefs2="a28 a30" order="S"/>
                  <bond atomRefs2="a28 a42" order="S"/>
                  <bond atomRefs2="a29 a30" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a30 a35" order="S"/>
                  <bond atomRefs2="a31 a41" order="S"/>
                  <bond atomRefs2="a32 a40" order="S"/>
               </bondArray>
               <formula concise="Cu32O10">
                  <atomArray count="32 10" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2193.4660000000026</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.10O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42/rA:42CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1OOOO1OOOOO4/rB:;;;;;;;;;;s11;s11s12;;;s7;s6;;s4;;s4s13s19;;s4s14s19s21s22;s7s10s16s22;s10s14s22;s7s16s24;s6s17;s1s23s24;s1s4s6s28;s1s28s29;;;s2;s5s18;s8s30;s5s7;s20;s3s29;s18s19;s1s32;s15s31;s2s12s15s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
