<?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">2022-08-03T18:43:00.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.074153507</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="2.4842593"
                        xFract="0.27265904"
                        y3="1.43428777"
                        yFract="0.27265904"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.00279761"
                        xFract="0.4393257"
                        y3="2.31101628"
                        yFract="0.4393257"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.03987437"
                        xFract="0.9393257"
                        y3="2.31101628"
                        yFract="0.4393257"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.52133599"
                        xFract="0.4393257"
                        y3="4.9412019"
                        yFract="0.9393257"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.55841274"
                        xFract="0.9393257"
                        y3="4.9412019"
                        yFract="0.9393257"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.03987443"
                        xFract="0.77265904"
                        y3="4.0644734"
                        yFract="0.77265904"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="4.00279767"
                        xFract="0.27265904"
                        y3="4.0644734"
                        yFract="0.77265904"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.52133605"
                        xFract="0.77265904"
                        y3="1.43428777"
                        yFract="0.27265904"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="2.4842593"
                        xFract="0.27265904"
                        y3="1.43428777"
                        yFract="0.27265904"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.96572089"
                        xFract="0.10599237"
                        y3="0.55755922"
                        yFract="0.10599237"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.48425927"
                        xFract="0.10599237"
                        y3="3.18774484"
                        yFract="0.60599237"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.52133602"
                        xFract="0.60599237"
                        y3="3.18774484"
                        yFract="0.60599237"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="4.00279764"
                        xFract="0.60599237"
                        y3="0.55755922"
                        yFract="0.10599237"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.52133605"
                        xFract="0.77265904"
                        y3="1.43428777"
                        yFract="0.27265904"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.00279761"
                        xFract="0.4393257"
                        y3="2.31101628"
                        yFract="0.4393257"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.00279767"
                        xFract="0.27265904"
                        y3="4.0644734"
                        yFract="0.77265904"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.03987443"
                        xFract="0.77265904"
                        y3="4.0644734"
                        yFract="0.77265904"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.03987437"
                        xFract="0.9393257"
                        y3="2.31101628"
                        yFract="0.4393257"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="5.52133599"
                        xFract="0.4393257"
                        y3="4.9412019"
                        yFract="0.9393257"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.55841274"
                        xFract="0.9393257"
                        y3="4.9412019"
                        yFract="0.9393257"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.96572089"
                        xFract="0.10599237"
                        y3="0.55755922"
                        yFract="0.10599237"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="O"
                        id="a22"
                        x3="4.00279761"
                        xFract="0.4393257"
                        y3="2.31101628"
                        yFract="0.4393257"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="O"
                        id="a23"
                        x3="0.96572089"
                        xFract="0.10599237"
                        y3="0.55755922"
                        yFract="0.10599237"
                        z3="8.81934754"
                        zFract="0.31319893"/>
                  <atom elementType="O"
                        id="a24"
                        x3="7.03987443"
                        xFract="0.77265904"
                        y3="4.0644734"
                        yFract="0.77265904"
                        z3="3.85982204"
                        zFract="0.13707274"/>
                  <atom elementType="O"
                        id="a25"
                        x3="4.00279761"
                        xFract="0.4393257"
                        y3="2.31101628"
                        yFract="0.4393257"
                        z3="6.33958493"
                        zFract="0.22513584"/>
                  <atom elementType="O"
                        id="a26"
                        x3="7.03987443"
                        xFract="0.77265904"
                        y3="4.0644734"
                        yFract="0.77265904"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="O"
                        id="a27"
                        x3="0.96572089"
                        xFract="0.10599237"
                        y3="0.55755922"
                        yFract="0.10599237"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="O"
                        id="a28"
                        x3="7.03987443"
                        xFract="0.77265904"
                        y3="4.0644734"
                        yFract="0.77265904"
                        z3="11.29911043"
                        zFract="0.40126203"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a22" order="S"/>
                  <bond atomRefs2="a3 a28" order="S"/>
                  <bond atomRefs2="a4 a28" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a6 a28" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a13 a25" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a25" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a17 a24" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a19 a24" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
               </bondArray>
               <formula concise="Cu20O8">
                  <atomArray count="20 8" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1398.9152</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.8O">
                  <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/rA:28CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O4OO4O4OO0O4/rB:;;;;;;;;;;;;;;;;;;;s10;s1s14s15s16;s9s10;s17s18s19s20;s11s12s13s15;s6s12;;s3s4s5s6;/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">268.0000</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">20 8</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">9 9 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="12">1 2 3 4 5 6 7 8 9 10 11 12</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="1920">-21.8086 -21.6663 -21.4831 -21.4312 -21.3107 -21.2277 -20.3477 -20.2900 -8.9418 -8.9417 -8.8534 -8.8484 -8.8483 -8.5697 -8.5697 -8.5549 -8.4329 -8.0770 -8.0769 -7.9169 -7.7140 -7.4576 -7.4575 -7.2958 -7.1649 -7.1648 -7.1218 -6.7802 -6.7801 -6.7019 -6.4853 -6.4851 -6.0776 -5.8518 -5.5023 -5.0625 -5.0571 -5.0570 -5.0214 -4.9848 -4.8328 -4.8328 -4.7574 -4.7574 -4.7227 -4.6921 -4.6921 -4.6133 -4.6132 -4.4870 -4.4870 -4.4120 -4.4120 -4.3061 -4.3061 -4.2877 -4.2094 -4.2094 -4.1758 -4.1758 -4.1691 -4.1196 -4.1196 -4.0339 -4.0339 -4.0074 -4.0074 -3.9845 -3.9229 -3.9229 -3.8838 -3.8704 -3.8704 -3.8260 -3.8120 -3.8120 -3.7845 -3.7845 -3.7561 -3.7285 -3.7276 -3.7276 -3.6985 -3.6851 -3.6850 -3.6503 -3.6494 -3.6494 -3.6154 -3.6154 -3.6098 -3.5633 -3.5633 -3.5550 -3.5509 -3.5509 -3.5156 -3.4637 -3.4636 -3.4634 -3.4417 -3.4417 -3.4123 -3.3626 -3.3626 -3.3592 -3.3592 -3.3404 -3.3148 -3.3148 -3.3064 -3.2550 -3.2550 -3.2185 -3.2166 -3.1480 -3.1347 -3.1347 -3.0292 -2.8177 -2.8177 -2.7453 -2.7453 -2.7022 -2.5308 -2.5308 -2.5150 -2.5003 -2.5003 -2.3397 -2.2849 -2.2432 -2.2432 -2.0883 -1.0331 -0.6739 -0.6739 -0.6282 -0.2903 -0.2903 -0.0269 0.4081 0.4081 0.7102 0.9135 0.9136 1.2079 1.2080 1.2490 1.5871 2.1697 2.1697 2.2216 2.6158 2.8188 2.8746 2.8747 3.1857 3.4700 3.5304 -21.7967 -21.6561 -21.4843 -21.4281 -21.3189 -21.2403 -20.3497 -20.2948 -8.9550 -8.9462 -8.8528 -8.8234 -8.7923 -8.5605 -8.5584 -8.5345 -8.4194 -8.1118 -8.0711 -7.8936 -7.7215 -7.4781 -7.4666 -7.3461 -7.1758 -7.1691 -7.1151 -6.9171 -6.8144 -6.6098 -6.5192 -6.4905 -6.0318 -5.8550 -5.4669 -5.0755 -5.0443 -5.0341 -5.0047 -4.9712 -4.8159 -4.8127 -4.7678 -4.7367 -4.7132 -4.6836 -4.6552 -4.5923 -4.5889 -4.4779 -4.4761 -4.4023 -4.3965 -4.3031 -4.2964 -4.2791 -4.2055 -4.2018 -4.1835 -4.1792 -4.1670 -4.1286 -4.1192 -4.0357 -4.0326 -4.0103 -4.0029 -3.9791 -3.9436 -3.9328 -3.8871 -3.8817 -3.8670 -3.8391 -3.8225 -3.8168 -3.7958 -3.7850 -3.7576 -3.7482 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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-120.07940224</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-120.07940224</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-120.07940224</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.9412</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2952331E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.074153507</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="2.48426"
                        xFract="0.27265894"
                        y3="1.43429"
                        yFract="0.27265946"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.0028"
                        xFract="0.43932574"
                        y3="2.31102"
                        yFract="0.43932641"
                        z3="11.10886"
                        zFract="0.39450572"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.03987"
                        xFract="0.94623384"
                        y3="2.23833"
                        yFract="0.42550799"
                        z3="11.66914"
                        zFract="0.41440278"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.45839"
                        xFract="0.42550788"
                        y3="4.97755"
                        yFract="0.9462355"
                        z3="11.66914"
                        zFract="0.41440278"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.62136"
                        xFract="0.94623393"
                        y3="4.97755"
                        yFract="0.9462355"
                        z3="11.66914"
                        zFract="0.41440278"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.03987"
                        xFract="0.77265863"
                        y3="4.06447"
                        yFract="0.77265839"
                        z3="9.43503"
                        zFract="0.33506348"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="4.0028"
                        xFract="0.29284083"
                        y3="3.85215"
                        yFract="0.73229622"
                        z3="9.25205"
                        zFract="0.32856537"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.33746"
                        xFract="0.73229641"
                        y3="1.54045"
                        yFract="0.29284055"
                        z3="9.25205"
                        zFract="0.32856537"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="2.66813"
                        xFract="0.29283929"
                        y3="1.54045"
                        yFract="0.29284055"
                        z3="9.25205"
                        zFract="0.32856537"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.96572"
                        xFract="0.10599215"
                        y3="0.55756"
                        yFract="0.10599252"
                        z3="6.99319"
                        zFract="0.24834713"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.50631"
                        xFract="0.11083308"
                        y3="3.17501"
                        yFract="0.60357147"
                        z3="7.02517"
                        zFract="0.24948282"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.49929"
                        xFract="0.60357334"
                        y3="3.17501"
                        yFract="0.60357147"
                        z3="7.02517"
                        zFract="0.24948282"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="4.0028"
                        xFract="0.6035727"
                        y3="0.58302"
                        yFract="0.11083248"
                        z3="7.02517"
                        zFract="0.24948282"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.52134"
                        xFract="0.77265948"
                        y3="1.43429"
                        yFract="0.27265946"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.0028"
                        xFract="0.43932574"
                        y3="2.31102"
                        yFract="0.43932641"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.0028"
                        xFract="0.27265975"
                        y3="4.06447"
                        yFract="0.77265839"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.03987"
                        xFract="0.77265863"
                        y3="4.06447"
                        yFract="0.77265839"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.03987"
                        xFract="0.93932463"
                        y3="2.31102"
                        yFract="0.43932641"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="5.52134"
                        xFract="0.43932654"
                        y3="4.9412"
                        yFract="0.93932534"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.55841"
                        xFract="0.93932543"
                        y3="4.9412"
                        yFract="0.93932534"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.96572"
                        xFract="0.10599215"
                        y3="0.55756"
                        yFract="0.10599252"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="O"
                        id="a22"
                        x3="4.0028"
                        xFract="0.43932574"
                        y3="2.31102"
                        yFract="0.43932641"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="O"
                        id="a23"
                        x3="0.96572"
                        xFract="0.10599215"
                        y3="0.55756"
                        yFract="0.10599252"
                        z3="8.85341"
                        zFract="0.31440858"/>
                  <atom elementType="O"
                        id="a24"
                        x3="7.03987"
                        xFract="0.77265863"
                        y3="4.06447"
                        yFract="0.77265839"
                        z3="3.85982"
                        zFract="0.13707267"/>
                  <atom elementType="O"
                        id="a25"
                        x3="4.0028"
                        xFract="0.43932574"
                        y3="2.31102"
                        yFract="0.43932641"
                        z3="6.32359"
                        zFract="0.22456782"/>
                  <atom elementType="O"
                        id="a26"
                        x3="7.03987"
                        xFract="0.77265863"
                        y3="4.06447"
                        yFract="0.77265839"
                        z3="7.5761"
                        zFract="0.26904784"/>
                  <atom elementType="O"
                        id="a27"
                        x3="0.96572"
                        xFract="0.10599215"
                        y3="0.55756"
                        yFract="0.10599252"
                        z3="12.36335"
                        zFract="0.43905606"/>
                  <atom elementType="O"
                        id="a28"
                        x3="7.03987"
                        xFract="0.77265863"
                        y3="4.06447"
                        yFract="0.77265839"
                        z3="11.29624"
                        zFract="0.40116009"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a22" order="S"/>
                  <bond atomRefs2="a2 a9" order="S"/>
                  <bond atomRefs2="a2 a8" order="S"/>
                  <bond atomRefs2="a2 a7" order="S"/>
                  <bond atomRefs2="a3 a28" order="S"/>
                  <bond atomRefs2="a4 a28" order="S"/>
                  <bond atomRefs2="a5 a28" order="S"/>
                  <bond atomRefs2="a6 a28" order="S"/>
                  <bond atomRefs2="a6 a26" order="S"/>
                  <bond atomRefs2="a7 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a9" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a11 a25" order="S"/>
                  <bond atomRefs2="a12 a25" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a13 a25" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a25" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a17 a24" order="S"/>
                  <bond atomRefs2="a18 a24" order="S"/>
                  <bond atomRefs2="a19 a24" order="S"/>
                  <bond atomRefs2="a20 a24" order="S"/>
               </bondArray>
               <formula concise="Cu20O8">
                  <atomArray count="20 8" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1398.9152</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.8O">
                  <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/rA:28CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O4OO4O4OO0O4/rB:;;;;;s2;s2s7;s2s7s8;;;;;;;;;;;;s10;s1s14s15s16;s9s10;s17s18s19s20;s11s12s13s15;s6s12;;s3s4s5s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
