<?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">
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               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.148307014121546</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>
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                        z3="2.87672844"
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                        y3="7.9101414"
                        yFract="0.84060673"
                        z3="8.13709986"
                        zFract="0.25504644"/>
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                        z3="11.64401393"
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                        y3="6.73388663"
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                        z3="10.76728525"
                        zFract="0.33748606"/>
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                        id="a8"
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                        y3="8.69431131"
                        yFract="0.92394007"
                        z3="11.64401393"
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                        id="a18"
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                        z3="12.52074261"
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                        id="a19"
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                        xFract="0.83489206"
                        y3="5.94971682"
                        yFract="0.6322734"
                        z3="7.26037119"
                        zFract="0.22756656"/>
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                        id="a20"
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                        id="a23"
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                        y3="8.69431131"
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                        z3="6.38364283"
                        zFract="0.20008669"/>
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                        id="a25"
                        x3="11.91588555"
                        xFract="0.83489206"
                        y3="4.77346205"
                        yFract="0.5072734"
                        z3="4.63018548"
                        zFract="0.14512693"/>
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                        id="a79"
                        x3="10.47527361"
                        xFract="0.75155873"
                        y3="3.98929223"
                        yFract="0.42394007"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a80"
                        x3="6.63364157"
                        xFract="0.08489206"
                        y3="7.12597158"
                        yFract="0.7572734"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="O"
                        id="a81"
                        x3="3.75241763"
                        xFract="0.25155873"
                        y3="1.63678269"
                        yFract="0.17394007"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a82"
                        x3="11.43568149"
                        xFract="0.91822539"
                        y3="3.20512232"
                        yFract="0.34060673"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a83"
                        x3="9.5148655"
                        xFract="0.91822539"
                        y3="0.85261279"
                        yFract="0.09060673"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a84"
                        x3="8.55445762"
                        xFract="0.75155873"
                        y3="1.63678269"
                        yFract="0.17394007"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a85"
                        x3="5.67323363"
                        xFract="0.25155873"
                        y3="3.98929223"
                        yFract="0.42394007"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a86"
                        x3="6.63364151"
                        xFract="0.41822539"
                        y3="3.20512232"
                        yFract="0.34060673"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a87"
                        x3="9.5148655"
                        xFract="0.91822539"
                        y3="0.85261279"
                        yFract="0.09060673"
                        z3="16.02765668"
                        zFract="0.50236532"/>
                  <atom elementType="O"
                        id="a88"
                        x3="4.71282552"
                        xFract="0.41822539"
                        y3="0.85261279"
                        yFract="0.09060673"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a89"
                        x3="4.71282557"
                        xFract="0.08489206"
                        y3="4.77346205"
                        yFract="0.5072734"
                        z3="12.52074261"
                        zFract="0.39244582"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a81" order="S"/>
                  <bond atomRefs2="a1 a75" order="S"/>
                  <bond atomRefs2="a2 a71" order="S"/>
                  <bond atomRefs2="a2 a80" order="S"/>
                  <bond atomRefs2="a3 a67" order="S"/>
                  <bond atomRefs2="a3 a63" order="S"/>
                  <bond atomRefs2="a4 a71" order="S"/>
                  <bond atomRefs2="a4 a70" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a8 a65" order="S"/>
                  <bond atomRefs2="a9 a71" order="S"/>
                  <bond atomRefs2="a10 a64" order="S"/>
                  <bond atomRefs2="a10 a89" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a12 a70" order="S"/>
                  <bond atomRefs2="a12 a68" order="S"/>
                  <bond atomRefs2="a13 a64" order="S"/>
                  <bond atomRefs2="a14 a72" order="S"/>
                  <bond atomRefs2="a14 a74" order="S"/>
                  <bond atomRefs2="a15 a74" order="S"/>
                  <bond atomRefs2="a15 a64" order="S"/>
                  <bond atomRefs2="a16 a72" order="S"/>
                  <bond atomRefs2="a16 a62" order="S"/>
                  <bond atomRefs2="a17 a65" order="S"/>
                  <bond atomRefs2="a18 a68" order="S"/>
                  <bond atomRefs2="a18 a62" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a19 a69" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a20 a82" order="S"/>
                  <bond atomRefs2="a21 a67" order="S"/>
                  <bond atomRefs2="a21 a80" order="S"/>
                  <bond atomRefs2="a22 a79" order="S"/>
                  <bond atomRefs2="a22 a67" order="S"/>
                  <bond atomRefs2="a23 a80" order="S"/>
                  <bond atomRefs2="a23 a85" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a25 a69" order="S"/>
                  <bond atomRefs2="a25 a79" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a30 a69" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a31 a67" order="S"/>
                  <bond atomRefs2="a32 a73" order="S"/>
                  <bond atomRefs2="a33 a82" order="S"/>
                  <bond atomRefs2="a33 a74" order="S"/>
                  <bond atomRefs2="a34 a84" order="S"/>
                  <bond atomRefs2="a34 a83" order="S"/>
                  <bond atomRefs2="a35 a84" order="S"/>
                  <bond atomRefs2="a36 a81" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a37 a81" order="S"/>
                  <bond atomRefs2="a38 a76" order="S"/>
                  <bond atomRefs2="a39 a86" order="S"/>
                  <bond atomRefs2="a40 a83" order="S"/>
                  <bond atomRefs2="a41 a86" order="S"/>
                  <bond atomRefs2="a42 a86" order="S"/>
                  <bond atomRefs2="a42 a77" order="S"/>
                  <bond atomRefs2="a43 a86" order="S"/>
                  <bond atomRefs2="a44 a83" order="S"/>
                  <bond atomRefs2="a44 a79" order="S"/>
                  <bond atomRefs2="a45 a78" order="S"/>
                  <bond atomRefs2="a46 a81" order="S"/>
                  <bond atomRefs2="a46 a63" order="S"/>
                  <bond atomRefs2="a47 a87" order="S"/>
                  <bond atomRefs2="a48 a76" order="S"/>
                  <bond atomRefs2="a48 a89" order="S"/>
                  <bond atomRefs2="a49 a84" order="S"/>
                  <bond atomRefs2="a49 a82" order="S"/>
                  <bond atomRefs2="a50 a78" order="S"/>
                  <bond atomRefs2="a51 a76" order="S"/>
                  <bond atomRefs2="a52 a89" order="S"/>
                  <bond atomRefs2="a52 a85" order="S"/>
                  <bond atomRefs2="a53 a78" order="S"/>
                  <bond atomRefs2="a55 a88" order="S"/>
                  <bond atomRefs2="a56 a88" order="S"/>
                  <bond atomRefs2="a56 a78" order="S"/>
                  <bond atomRefs2="a57 a88" order="S"/>
                  <bond atomRefs2="a57 a77" order="S"/>
                  <bond atomRefs2="a58 a84" order="S"/>
                  <bond atomRefs2="a58 a85" order="S"/>
                  <bond atomRefs2="a59 a85" order="S"/>
                  <bond atomRefs2="a59 a73" order="S"/>
                  <bond atomRefs2="a60 a87" order="S"/>
                  <bond atomRefs2="a60 a74" order="S"/>
               </bondArray>
               <formula concise="Cu60O29">
                  <atomArray count="60 29" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4276.742599999995</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.29O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89/rA:89CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OOO3O4O1O4OO3O4O3OO3O4O1O3OO4O3O3O4O3O3O4O4O4OO3O3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s24s26s27s28;s16s18;s3s46;s10s13s15;s6s8s11s17;s30;s3s21s22s31;s12s18;s19s25s30;s4s12s19s20;s2s4s9;s14s16;s32s36s59;s14s15s33s60;s1;s38s48s51;s42s57;s45s50s53s56;s22s25s44;s2s21s23;s1s36s37s46;s20s33s49;s34s40s44;s34s35s49s58;s23s52s58s59;s39s41s42s43;s47s60;s55s56s57;s10s48s52;/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">834.0000</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">60 29</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 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="10">1 2 3 4 5 6 7 8 9 10</array>
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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">-394.54209534</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-394.51565294</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-394.52887414</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.7016</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2438919E-01</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">12.148307014121546</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="2.31181"
                        xFract="0.16822609"
                        y3="0.85261"
                        yFract="0.09060643"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.12342"
                        xFract="0.18249422"
                        y3="7.80252"
                        yFract="0.82916986"
                        z3="8.30133"
                        zFract="0.26019401"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.15344"
                        xFract="0.16822581"
                        y3="5.55763"
                        yFract="0.59060653"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.86116"
                        xFract="0.49838863"
                        y3="7.43983"
                        yFract="0.79062698"
                        z3="9.1200"
                        zFract="0.28585412"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.06134"
                        xFract="0.50489229"
                        y3="5.15901"
                        yFract="0.54824539"
                        z3="8.92119"
                        zFract="0.27962269"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.73398"
                        xFract="0.49245217"
                        y3="6.12915"
                        yFract="0.65134167"
                        z3="11.28932"
                        zFract="0.35384854"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.39064"
                        xFract="0.22333754"
                        y3="6.42463"
                        yFract="0.68274218"
                        z3="10.67161"
                        zFract="0.33448725"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.82658"
                        xFract="0.49786605"
                        y3="8.62837"
                        yFract="0.91693252"
                        z3="11.57833"
                        zFract="0.36290717"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.94392"
                        xFract="0.15434158"
                        y3="9.13857"
                        yFract="0.97115122"
                        z3="11.10224"
                        zFract="0.34798477"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.33267"
                        xFract="0.1854543"
                        y3="5.57449"
                        yFract="0.59239824"
                        z3="13.28335"
                        zFract="0.41634872"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.8593"
                        xFract="0.84202606"
                        y3="5.84499"
                        yFract="0.62114413"
                        z3="12.4858"
                        zFract="0.39135059"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.89196"
                        xFract="0.84465857"
                        y3="7.07877"
                        yFract="0.75225731"
                        z3="9.96063"
                        zFract="0.31220254"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.20116"
                        xFract="0.16018882"
                        y3="8.1601"
                        yFract="0.8671697"
                        z3="13.2139"
                        zFract="0.41417191"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.80824"
                        xFract="0.8047739"
                        y3="4.99589"
                        yFract="0.53091071"
                        z3="14.97197"
                        zFract="0.46927624"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.00407"
                        xFract="0.48164808"
                        y3="5.36228"
                        yFract="0.56984679"
                        z3="14.0214"
                        zFract="0.43948191"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.57864"
                        xFract="0.7995606"
                        y3="7.2255"
                        yFract="0.76785023"
                        z3="14.94473"
                        zFract="0.46842244"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.19466"
                        xFract="0.53634235"
                        y3="7.40185"
                        yFract="0.78659086"
                        z3="14.03091"
                        zFract="0.43977998"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.90648"
                        xFract="0.84950176"
                        y3="8.26433"
                        yFract="0.87824617"
                        z3="12.53119"
                        zFract="0.39277328"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.87629"
                        xFract="0.83489142"
                        y3="5.94972"
                        yFract="0.63227374"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.80451"
                        xFract="0.81906942"
                        y3="4.82317"
                        yFract="0.51255584"
                        z3="9.84709"
                        zFract="0.30864378"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.11385"
                        xFract="0.16822557"
                        y3="6.73389"
                        yFract="0.71560709"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.03466"
                        xFract="0.50155831"
                        y3="5.16555"
                        yFract="0.54894039"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.31747"
                        xFract="0.18642381"
                        y3="5.54447"
                        yFract="0.58920803"
                        z3="8.19482"
                        zFract="0.2568556"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.91589"
                        xFract="0.5015593"
                        y3="8.69431"
                        yFract="0.92393993"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.91589"
                        xFract="0.8348927"
                        y3="4.77346"
                        yFract="0.50727318"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.03466"
                        xFract="0.16822491"
                        y3="9.0864"
                        yFract="0.96560714"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.99507"
                        xFract="0.50155892"
                        y3="6.3418"
                        yFract="0.67393988"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.95548"
                        xFract="0.50155868"
                        y3="7.51806"
                        yFract="0.79894044"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.79711"
                        xFract="0.8348918"
                        y3="8.30223"
                        yFract="0.88227379"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.8367"
                        xFract="0.83489203"
                        y3="7.12597"
                        yFract="0.75727323"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.07425"
                        xFract="0.16822514"
                        y3="7.91014"
                        yFract="0.84060658"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.31064"
                        xFract="0.17059948"
                        y3="0.82326"
                        yFract="0.08748742"
                        z3="8.29539"
                        zFract="0.26000783"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.88753"
                        xFract="0.82542888"
                        y3="3.6253"
                        yFract="0.3852588"
                        z3="12.52538"
                        zFract="0.39259117"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.03466"
                        xFract="0.83489171"
                        y3="1.2447"
                        yFract="0.13227364"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="8.17959"
                        xFract="0.85395963"
                        y3="-0.02683"
                        yFract="-0.00285121"
                        z3="10.02185"
                        zFract="0.3141214"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.27221"
                        xFract="0.16822482"
                        y3="2.02887"
                        yFract="0.21560699"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.19303"
                        xFract="0.50155859"
                        y3="0.46053"
                        yFract="0.04894029"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.9873"
                        xFract="0.48331962"
                        y3="0.4231"
                        yFract="0.04496262"
                        z3="14.05737"
                        zFract="0.44060934"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.07425"
                        xFract="0.50155854"
                        y3="3.98929"
                        yFract="0.42393983"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.07425"
                        xFract="0.83489194"
                        y3="0.06844"
                        yFract="0.00727308"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.19303"
                        xFract="0.16822519"
                        y3="4.38138"
                        yFract="0.46560704"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.15344"
                        xFract="0.50155921"
                        y3="1.63678"
                        yFract="0.17393978"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.11385"
                        xFract="0.50155897"
                        y3="2.81304"
                        yFract="0.29894034"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.99507"
                        xFract="0.83489232"
                        y3="2.42095"
                        yFract="0.25727313"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.36008"
                        xFract="0.54870513"
                        y3="2.56005"
                        yFract="0.27205522"
                        z3="13.92804"
                        zFract="0.43655566"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.23262"
                        xFract="0.16822543"
                        y3="3.20512"
                        yFract="0.34060648"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="8.01417"
                        xFract="0.81296024"
                        y3="0.25283"
                        yFract="0.02686812"
                        z3="14.90991"
                        zFract="0.46733106"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.26896"
                        xFract="0.18395818"
                        y3="3.06457"
                        yFract="0.32567031"
                        z3="13.33895"
                        zFract="0.41809143"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="9.96156"
                        xFract="0.82645527"
                        y3="2.47915"
                        yFract="0.26345802"
                        z3="9.88842"
                        zFract="0.30993921"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.32969"
                        xFract="0.88565337"
                        y3="1.00895"
                        yFract="0.10722061"
                        z3="12.56386"
                        zFract="0.39379728"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.13783"
                        xFract="0.1696007"
                        y3="0.62336"
                        yFract="0.06624415"
                        z3="13.20632"
                        zFract="0.41393432"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.30023"
                        xFract="0.17914142"
                        y3="4.38427"
                        yFract="0.46591416"
                        z3="10.88711"
                        zFract="0.34124181"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="8.21104"
                        xFract="0.49470653"
                        y3="4.23742"
                        yFract="0.45030848"
                        z3="11.32106"
                        zFract="0.35484338"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.95548"
                        xFract="0.83489208"
                        y3="3.59721"
                        yFract="0.38227369"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.28864"
                        xFract="0.17278017"
                        y3="1.99541"
                        yFract="0.21205121"
                        z3="10.85365"
                        zFract="0.34019305"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="6.33967"
                        xFract="0.5197257"
                        y3="1.65118"
                        yFract="0.17547006"
                        z3="11.56895"
                        zFract="0.36261316"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.22067"
                        xFract="0.5053309"
                        y3="0.45001"
                        yFract="0.04782234"
                        z3="9.07708"
                        zFract="0.28450885"/>
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                        id="a58"
                        x3="7.21649"
                        xFract="0.50497811"
                        y3="2.89853"
                        yFract="0.30802532"
                        z3="9.04298"
                        zFract="0.28344003"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="4.25244"
                        xFract="0.17382748"
                        y3="3.1635"
                        yFract="0.33618355"
                        z3="8.19389"
                        zFract="0.25682645"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.81353"
                        xFract="0.81597123"
                        y3="2.42117"
                        yFract="0.25729651"
                        z3="14.93449"
                        zFract="0.46810148"/>
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                        id="a61"
                        x3="10.47527"
                        xFract="0.41822514"
                        y3="7.91014"
                        yFract="0.84060658"
                        z3="5.50691"
                        zFract="0.17260668"/>
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                        id="a62"
                        x3="14.20413"
                        xFract="0.73133437"
                        y3="8.79408"
                        yFract="0.93454244"
                        z3="14.21705"
                        zFract="0.44561429"/>
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                        id="a63"
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                        y3="4.77346"
                        yFract="0.50727318"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="O"
                        id="a64"
                        x3="7.66479"
                        xFract="0.23761963"
                        y3="6.5924"
                        yFract="0.70057102"
                        z3="14.03567"
                        zFract="0.43992918"/>
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                        id="a65"
                        x3="11.32066"
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                        y3="6.90654"
                        yFract="0.73395452"
                        z3="12.14989"
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                        yFract="0.67393988"
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                        y3="7.71924"
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                        z3="10.81311"
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                        zFract="0.34078105"/>
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                        yFract="0.50206279"
                        z3="12.65478"
                        zFract="0.39664704"/>
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                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a25 a79" order="S"/>
                  <bond atomRefs2="a25 a69" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a30 a66" order="S"/>
                  <bond atomRefs2="a30 a69" order="S"/>
                  <bond atomRefs2="a31 a67" order="S"/>
                  <bond atomRefs2="a32 a73" order="S"/>
                  <bond atomRefs2="a33 a74" order="S"/>
                  <bond atomRefs2="a33 a82" order="S"/>
                  <bond atomRefs2="a34 a84" order="S"/>
                  <bond atomRefs2="a34 a83" order="S"/>
                  <bond atomRefs2="a35 a84" order="S"/>
                  <bond atomRefs2="a36 a73" order="S"/>
                  <bond atomRefs2="a36 a81" order="S"/>
                  <bond atomRefs2="a37 a81" order="S"/>
                  <bond atomRefs2="a38 a76" order="S"/>
                  <bond atomRefs2="a39 a86" order="S"/>
                  <bond atomRefs2="a40 a83" order="S"/>
                  <bond atomRefs2="a41 a86" order="S"/>
                  <bond atomRefs2="a42 a77" order="S"/>
                  <bond atomRefs2="a42 a86" order="S"/>
                  <bond atomRefs2="a43 a86" order="S"/>
                  <bond atomRefs2="a44 a79" order="S"/>
                  <bond atomRefs2="a44 a83" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a78" order="S"/>
                  <bond atomRefs2="a46 a63" order="S"/>
                  <bond atomRefs2="a46 a81" order="S"/>
                  <bond atomRefs2="a47 a87" order="S"/>
                  <bond atomRefs2="a48 a89" order="S"/>
                  <bond atomRefs2="a48 a76" order="S"/>
                  <bond atomRefs2="a49 a84" order="S"/>
                  <bond atomRefs2="a49 a82" order="S"/>
                  <bond atomRefs2="a50 a78" order="S"/>
                  <bond atomRefs2="a51 a76" order="S"/>
                  <bond atomRefs2="a52 a85" order="S"/>
                  <bond atomRefs2="a52 a89" order="S"/>
                  <bond atomRefs2="a53 a78" order="S"/>
                  <bond atomRefs2="a55 a88" order="S"/>
                  <bond atomRefs2="a56 a78" order="S"/>
                  <bond atomRefs2="a56 a88" order="S"/>
                  <bond atomRefs2="a57 a77" order="S"/>
                  <bond atomRefs2="a57 a88" order="S"/>
                  <bond atomRefs2="a58 a84" order="S"/>
                  <bond atomRefs2="a58 a85" order="S"/>
                  <bond atomRefs2="a59 a85" order="S"/>
                  <bond atomRefs2="a59 a73" order="S"/>
                  <bond atomRefs2="a60 a74" order="S"/>
                  <bond atomRefs2="a60 a87" order="S"/>
               </bondArray>
               <formula concise="Cu60O29">
                  <atomArray count="60 29" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4276.742599999995</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.29O">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
