<?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">2022-08-03T19:03:27.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.60407997</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.074153507060773</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</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">50.77</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.2529271"
                        xFract="0.16279539"
                        y3="0.84437237"
                        yFract="0.17946205"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.05496706"
                        xFract="0.49612872"
                        y3="2.804797"
                        yFract="0.59612872"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.13415107"
                        xFract="0.49612872"
                        y3="0.45228746"
                        yFract="0.09612872"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.09455907"
                        xFract="0.49612872"
                        y3="1.62854223"
                        yFract="0.34612872"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.21333509"
                        xFract="0.16279539"
                        y3="2.02062714"
                        yFract="0.42946205"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.01537506"
                        xFract="0.49612872"
                        y3="3.98105177"
                        yFract="0.84612872"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.13415109"
                        xFract="0.16279539"
                        y3="4.37313667"
                        yFract="0.92946205"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="2.2529271"
                        xFract="0.16279539"
                        y3="0.84437237"
                        yFract="0.17946205"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.97578304"
                        xFract="0.82946205"
                        y3="1.23645732"
                        yFract="0.26279539"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="9.93619103"
                        xFract="0.82946205"
                        y3="2.41271209"
                        yFract="0.51279539"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="4.17374309"
                        xFract="0.16279539"
                        y3="3.19688191"
                        yFract="0.67946205"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.01537504"
                        xFract="0.82946205"
                        y3="0.06020255"
                        yFract="0.01279539"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.13415107"
                        xFract="0.49612872"
                        y3="0.45228746"
                        yFract="0.09612872"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="9.93619103"
                        xFract="0.82946205"
                        y3="2.41271209"
                        yFract="0.51279539"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.05496706"
                        xFract="0.49612872"
                        y3="2.804797"
                        yFract="0.59612872"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="10.89659903"
                        xFract="0.82946205"
                        y3="3.58896686"
                        yFract="0.76279539"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.97578304"
                        xFract="0.82946205"
                        y3="1.23645732"
                        yFract="0.26279539"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.01537504"
                        xFract="0.82946205"
                        y3="0.06020255"
                        yFract="0.01279539"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.21333509"
                        xFract="0.16279539"
                        y3="2.02062714"
                        yFract="0.42946205"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.13415107"
                        xFract="0.49612872"
                        y3="0.45228746"
                        yFract="0.09612872"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.2529271"
                        xFract="0.16279539"
                        y3="0.84437237"
                        yFract="0.17946205"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.01537506"
                        xFract="0.49612872"
                        y3="3.98105177"
                        yFract="0.84612872"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.01537504"
                        xFract="0.82946205"
                        y3="0.06020255"
                        yFract="0.01279539"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.13415109"
                        xFract="0.16279539"
                        y3="4.37313667"
                        yFract="0.92946205"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.09455907"
                        xFract="0.49612872"
                        y3="1.62854223"
                        yFract="0.34612872"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.05496706"
                        xFract="0.49612872"
                        y3="2.804797"
                        yFract="0.59612872"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.93619103"
                        xFract="0.82946205"
                        y3="2.41271209"
                        yFract="0.51279539"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.17374309"
                        xFract="0.16279539"
                        y3="3.19688191"
                        yFract="0.67946205"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.17374309"
                        xFract="0.16279539"
                        y3="3.19688191"
                        yFract="0.67946205"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="10.89659903"
                        xFract="0.82946205"
                        y3="3.58896686"
                        yFract="0.76279539"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="O"
                        id="a31"
                        x3="0.81231506"
                        xFract="0.07946205"
                        y3="0.06020255"
                        yFract="0.01279539"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="O"
                        id="a32"
                        x3="3.69353907"
                        xFract="0.24612872"
                        y3="1.62854223"
                        yFract="0.34612872"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.53517104"
                        xFract="0.57946205"
                        y3="2.41271209"
                        yFract="0.51279539"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="O"
                        id="a34"
                        x3="3.69353907"
                        xFract="0.24612872"
                        y3="1.62854223"
                        yFract="0.34612872"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a35"
                        x3="9.45598707"
                        xFract="0.91279539"
                        y3="0.84437237"
                        yFract="0.17946205"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a36"
                        x3="8.49557906"
                        xFract="0.74612872"
                        y3="1.62854223"
                        yFract="0.34612872"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a37"
                        x3="5.61435507"
                        xFract="0.24612872"
                        y3="3.98105177"
                        yFract="0.84612872"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a38"
                        x3="6.57476308"
                        xFract="0.41279539"
                        y3="3.19688191"
                        yFract="0.67946205"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a39"
                        x3="9.45598707"
                        xFract="0.91279539"
                        y3="0.84437237"
                        yFract="0.17946205"
                        z3="16.02765668"
                        zFract="0.50236532"/>
                  <atom elementType="O"
                        id="a40"
                        x3="2.73313106"
                        xFract="0.07946205"
                        y3="2.41271209"
                        yFract="0.51279539"
                        z3="7.26037119"
                        zFract="0.22756656"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a34" order="S"/>
                  <bond atomRefs2="a1 a31" order="S"/>
                  <bond atomRefs2="a2 a37" order="S"/>
                  <bond atomRefs2="a2 a36" order="S"/>
                  <bond atomRefs2="a4 a33" order="S"/>
                  <bond atomRefs2="a6 a33" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a8 a32" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a10 a36" order="S"/>
                  <bond atomRefs2="a11 a32" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a13 a32" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a17 a35" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a18 a36" order="S"/>
                  <bond atomRefs2="a19 a40" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a20 a34" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a22 a38" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a24 a38" order="S"/>
                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
               </bondArray>
               <formula concise="Cu30O10">
                  <atomArray count="30 10" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2066.3740000000007</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/30Cu.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/rA:40CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O3O4O4O3O4O3O4OO3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s1;s8s11s13;s4s6s9s15;s1s19s20s28;s17s23s27;s2s10s17s18;s2s7s29;s22s24s25s26;s12s14;s19s21s29;/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">390.0000</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">30 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 7 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>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="15">1 2 3 4 5 6 7 8 9 10 11 12 13 14 15</array>
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-0.005381 0.010664 -1.273491 -0.959115 -0.368977 0.001397 -0.001141 0.006973 0.007534 -0.006151 -0.007767 -0.009269 0.011829 -0.005060 0.010650 -0.008696 -0.009534 -0.013444 0.006716 -0.005060 0.014567 -0.011894 -0.003475 -0.013920 0.016427 0.016665 0.011721 -0.009570 -0.004973 0.004309 -0.009519 0.002913 -0.018879 0.010354 0.016665 -0.007423 -0.005181 0.000715 -0.002741 0.002238 0.006281 0.003592 0.008309 0.000715 -0.003218 0.002627 0.020752 -0.001886 0.001540 -0.008203 0.037913 -0.030956 -0.224878 0.010188 -0.002318 0.002913 0.090726 -0.074077 -0.519854 1.177673 -0.961566 0.828938 -0.002761 -0.016359 0.006760 1.547058 0.648642 0.505429 -1.574465 -0.588560 -0.342067 -0.002613 0.002134 -0.071829 -0.326125 -1.645529 0.505429 0.198232 -0.161856 -0.586104 0.261775 1.660366 -0.342067 0.685039 1.439584 -0.368977 0.015476 0.005977 0.006760 -0.970050 0.792043 -0.313799 0.630923 -0.515146 1.376838 -0.007753 0.006330 -0.013543 -0.003510 0.002866 0.004928 -0.316358 0.258305 -0.460623 0.246197 -0.201019 0.374179 0.000503 -0.000410 0.000497 0.001066 -0.000871 0.006065 -0.416696 0.340231 -0.021806 0.006140 -0.005013 -0.010451 0.001922 -0.001570 -0.001369</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">-164.64199979</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-164.63423763</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-164.63811871</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.6696</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5629823E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.60407997</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.074153507060773</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">31.90438519</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">50.77</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.25293"
                        xFract="0.16279589"
                        y3="0.84437"
                        yFract="0.17946155"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.22743"
                        xFract="0.52605762"
                        y3="2.66398"
                        yFract="0.56619962"
                        z3="8.6914"
                        zFract="0.27242023"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.36173"
                        xFract="0.53562217"
                        y3="0.26647"
                        yFract="0.05663526"
                        z3="8.42869"
                        zFract="0.26418594"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.91721"
                        xFract="0.50021668"
                        y3="1.36325"
                        yFract="0.28974378"
                        z3="10.64673"
                        zFract="0.33370742"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.15346"
                        xFract="0.15240524"
                        y3="2.06951"
                        yFract="0.43985156"
                        z3="10.20683"
                        zFract="0.31991934"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.23984"
                        xFract="0.50021661"
                        y3="4.20788"
                        yFract="0.89433856"
                        z3="10.64673"
                        zFract="0.33370742"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.09525"
                        xFract="0.15604454"
                        y3="4.4049"
                        yFract="0.936213"
                        z3="10.58692"
                        zFract="0.33183275"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="2.16875"
                        xFract="0.12405437"
                        y3="1.19697"
                        yFract="0.25440279"
                        z3="12.34615"
                        zFract="0.38697345"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.38725"
                        xFract="0.9008666"
                        y3="0.9005"
                        yFract="0.19139136"
                        z3="12.06387"
                        zFract="0.37812576"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="10.24978"
                        xFract="0.85600295"
                        y3="2.48459"
                        yFract="0.52807225"
                        z3="9.62151"
                        zFract="0.30157328"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="3.81144"
                        xFract="0.12405489"
                        y3="3.20884"
                        yFract="0.68200361"
                        z3="12.34615"
                        zFract="0.38697345"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.53517"
                        xFract="0.78356331"
                        y3="0.01196"
                        yFract="0.00254197"
                        z3="13.69688"
                        zFract="0.42931026"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.21032"
                        xFract="0.50934652"
                        y3="0.3901"
                        yFract="0.08291146"
                        z3="12.89174"
                        zFract="0.40407423"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="9.88742"
                        xFract="0.78356383"
                        y3="2.89286"
                        yFract="0.61484554"
                        z3="13.69688"
                        zFract="0.42931026"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.48779"
                        xFract="0.57123955"
                        y3="2.4514"
                        yFract="0.52101808"
                        z3="12.63399"
                        zFract="0.39599541"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="10.8372"
                        xFract="0.81915461"
                        y3="3.63746"
                        yFract="0.77310207"
                        z3="11.6367"
                        zFract="0.36473669"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.97578"
                        xFract="0.82946151"
                        y3="1.23646"
                        yFract="0.26279596"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.00766"
                        xFract="0.85600167"
                        y3="-0.26142"
                        yFract="-0.05556194"
                        z3="9.62151"
                        zFract="0.30157328"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.21334"
                        xFract="0.16279566"
                        y3="2.02063"
                        yFract="0.42946266"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.13415"
                        xFract="0.49612839"
                        y3="0.45229"
                        yFract="0.09612926"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.46974"
                        xFract="0.19374896"
                        y3="0.74582"
                        yFract="0.15851583"
                        z3="8.0363"
                        zFract="0.251887"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.01538"
                        xFract="0.49612938"
                        y3="3.98105"
                        yFract="0.84612834"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.01538"
                        xFract="0.82946278"
                        y3="0.0602"
                        yFract="0.01279485"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.13415"
                        xFract="0.16279499"
                        y3="4.37314"
                        yFract="0.92946276"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.09456"
                        xFract="0.49612901"
                        y3="1.62854"
                        yFract="0.34612825"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.05497"
                        xFract="0.49612877"
                        y3="2.8048"
                        yFract="0.59612936"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.93619"
                        xFract="0.82946212"
                        y3="2.41271"
                        yFract="0.51279495"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.17374"
                        xFract="0.16279523"
                        y3="3.19688"
                        yFract="0.67946164"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.31367"
                        xFract="0.19374929"
                        y3="3.00416"
                        yFract="0.63850113"
                        z3="8.0363"
                        zFract="0.251887"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="10.8966"
                        xFract="0.82946188"
                        y3="3.58897"
                        yFract="0.76279606"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="O"
                        id="a31"
                        x3="0.81232"
                        xFract="0.07946278"
                        y3="0.0602"
                        yFract="0.01279485"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="O"
                        id="a32"
                        x3="3.78703"
                        xFract="0.2623535"
                        y3="1.5522"
                        yFract="0.32990302"
                        z3="13.2456"
                        zFract="0.4151655"/>
                  <atom elementType="O"
                        id="a33"
                        x3="6.64818"
                        xFract="0.42553573"
                        y3="3.13694"
                        yFract="0.66672206"
                        z3="11.16267"
                        zFract="0.34987886"/>
                  <atom elementType="O"
                        id="a34"
                        x3="3.69354"
                        xFract="0.24612901"
                        y3="1.62854"
                        yFract="0.34612825"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="O"
                        id="a35"
                        x3="9.45599"
                        xFract="0.9127959"
                        y3="0.84437"
                        yFract="0.17946155"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="O"
                        id="a36"
                        x3="8.66452"
                        xFract="0.7754465"
                        y3="1.4906"
                        yFract="0.31681062"
                        z3="9.05174"
                        zFract="0.2837146"/>
                  <atom elementType="O"
                        id="a37"
                        x3="5.76318"
                        xFract="0.27195598"
                        y3="3.85953"
                        yFract="0.82030061"
                        z3="8.75556"
                        zFract="0.27443124"/>
                  <atom elementType="O"
                        id="a38"
                        x3="6.57476"
                        xFract="0.41279523"
                        y3="3.19688"
                        yFract="0.67946164"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="O"
                        id="a39"
                        x3="8.55979"
                        xFract="0.75727123"
                        y3="1.57612"
                        yFract="0.33498695"
                        z3="13.89883"
                        zFract="0.43564011"/>
                  <atom elementType="O"
                        id="a40"
                        x3="2.76079"
                        xFract="0.0842618"
                        y3="2.39013"
                        yFract="0.50799582"
                        z3="7.23732"
                        zFract="0.22684405"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a34" order="S"/>
                  <bond atomRefs2="a1 a31" order="S"/>
                  <bond atomRefs2="a2 a6" order="S"/>
                  <bond atomRefs2="a2 a4" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a37" order="S"/>
                  <bond atomRefs2="a2 a36" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a4" order="S"/>
                  <bond atomRefs2="a4 a13" order="S"/>
                  <bond atomRefs2="a4 a33" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a5 a21" order="S"/>
                  <bond atomRefs2="a5 a11" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a6 a33" order="S"/>
                  <bond atomRefs2="a7 a11" order="S"/>
                  <bond atomRefs2="a7 a33" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a8 a11" order="S"/>
                  <bond atomRefs2="a8 a32" order="S"/>
                  <bond atomRefs2="a9 a12" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a15" order="S"/>
                  <bond atomRefs2="a9 a39" order="S"/>
                  <bond atomRefs2="a10 a30" order="S"/>
                  <bond atomRefs2="a10 a16" order="S"/>
                  <bond atomRefs2="a10 a36" order="S"/>
                  <bond atomRefs2="a11 a32" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a13 a32" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a16" order="S"/>
                  <bond atomRefs2="a14 a39" order="S"/>
                  <bond atomRefs2="a15 a39" order="S"/>
                  <bond atomRefs2="a15 a33" order="S"/>
                  <bond atomRefs2="a17 a35" order="S"/>
                  <bond atomRefs2="a17 a36" order="S"/>
                  <bond atomRefs2="a18 a36" order="S"/>
                  <bond atomRefs2="a19 a34" order="S"/>
                  <bond atomRefs2="a19 a40" order="S"/>
                  <bond atomRefs2="a20 a34" order="S"/>
                  <bond atomRefs2="a21 a40" order="S"/>
                  <bond atomRefs2="a22 a38" order="S"/>
                  <bond atomRefs2="a23 a35" order="S"/>
                  <bond atomRefs2="a24 a38" order="S"/>
                  <bond atomRefs2="a25 a38" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a27 a35" order="S"/>
                  <bond atomRefs2="a28 a34" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
                  <bond atomRefs2="a29 a37" order="S"/>
               </bondArray>
               <formula concise="Cu30O10">
                  <atomArray count="30 10" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2066.3740000000007</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/30Cu.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/rA:40CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O3O4O4O3O4O3O4O4O3/rB:;;s2s3;;s2;;s5;;;s5s7s8;s9;s4s12;s9;s9s12s14;s10s14;s2;;;;s5;;;;s3;;;;s5;s10;s1;s8s11s13;s4s6s7s15;s1s19s20s28;s17s23s27;s2s10s17s18;s2s7s29;s22s24s25s26;s9s12s14s15;s19s21s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
