<?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">
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               </parameter>
               <parameter dictRef="cc:subversion">
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               <parameter dictRef="v:platform">
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               <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>
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                        yFract="0.00646983"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="O"
                        id="a80"
                        x3="7.57290536"
                        xFract="0.58333333"
                        y3="2.41339088"
                        yFract="0.25646983"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="O"
                        id="a81"
                        x3="10.4541294"
                        xFract="0.7500"
                        y3="3.98173061"
                        yFract="0.4231365"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a82"
                        x3="6.61249736"
                        xFract="0.08333333"
                        y3="7.11840996"
                        yFract="0.75646983"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="O"
                        id="a83"
                        x3="3.73127343"
                        xFract="0.2500"
                        y3="1.62922107"
                        yFract="0.1731365"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a84"
                        x3="9.49372147"
                        xFract="0.91666667"
                        y3="0.84505126"
                        yFract="0.08980317"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a85"
                        x3="8.53331341"
                        xFract="0.7500"
                        y3="1.62922107"
                        yFract="0.1731365"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a86"
                        x3="5.65208942"
                        xFract="0.2500"
                        y3="3.98173061"
                        yFract="0.4231365"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a87"
                        x3="6.61249747"
                        xFract="0.41666667"
                        y3="3.19756079"
                        yFract="0.33980317"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a88"
                        x3="9.49372147"
                        xFract="0.91666667"
                        y3="0.84505126"
                        yFract="0.08980317"
                        z3="16.02765668"
                        zFract="0.50236532"/>
                  <atom elementType="O"
                        id="a89"
                        x3="4.69168148"
                        xFract="0.41666667"
                        y3="0.84505126"
                        yFract="0.08980317"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a90"
                        x3="4.69168137"
                        xFract="0.08333333"
                        y3="4.76590042"
                        yFract="0.50646983"
                        z3="12.52074261"
                        zFract="0.39244582"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a77" order="S"/>
                  <bond atomRefs2="a1 a83" order="S"/>
                  <bond atomRefs2="a2 a82" order="S"/>
                  <bond atomRefs2="a2 a71" order="S"/>
                  <bond atomRefs2="a3 a67" order="S"/>
                  <bond atomRefs2="a4 a71" order="S"/>
                  <bond atomRefs2="a4 a70" order="S"/>
                  <bond atomRefs2="a5 a64" order="S"/>
                  <bond atomRefs2="a5 a73" order="S"/>
                  <bond atomRefs2="a6 a73" order="S"/>
                  <bond atomRefs2="a6 a65" order="S"/>
                  <bond atomRefs2="a7 a73" order="S"/>
                  <bond atomRefs2="a8 a65" order="S"/>
                  <bond atomRefs2="a9 a71" order="S"/>
                  <bond atomRefs2="a10 a90" order="S"/>
                  <bond atomRefs2="a10 a63" order="S"/>
                  <bond atomRefs2="a11 a65" order="S"/>
                  <bond atomRefs2="a12 a68" order="S"/>
                  <bond atomRefs2="a12 a70" order="S"/>
                  <bond atomRefs2="a13 a63" order="S"/>
                  <bond atomRefs2="a14 a72" order="S"/>
                  <bond atomRefs2="a14 a76" order="S"/>
                  <bond atomRefs2="a15 a63" order="S"/>
                  <bond atomRefs2="a15 a76" 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 a69" order="S"/>
                  <bond atomRefs2="a19 a70" order="S"/>
                  <bond atomRefs2="a20 a70" order="S"/>
                  <bond atomRefs2="a21 a82" order="S"/>
                  <bond atomRefs2="a21 a67" order="S"/>
                  <bond atomRefs2="a22 a67" order="S"/>
                  <bond atomRefs2="a22 a81" order="S"/>
                  <bond atomRefs2="a23 a82" order="S"/>
                  <bond atomRefs2="a23 a86" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a25 a69" order="S"/>
                  <bond atomRefs2="a25 a81" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a27 a64" 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 a75" order="S"/>
                  <bond atomRefs2="a33 a76" order="S"/>
                  <bond atomRefs2="a34 a84" order="S"/>
                  <bond atomRefs2="a34 a85" order="S"/>
                  <bond atomRefs2="a35 a85" order="S"/>
                  <bond atomRefs2="a36 a75" order="S"/>
                  <bond atomRefs2="a36 a83" order="S"/>
                  <bond atomRefs2="a37 a83" order="S"/>
                  <bond atomRefs2="a38 a78" order="S"/>
                  <bond atomRefs2="a39 a87" order="S"/>
                  <bond atomRefs2="a39 a64" order="S"/>
                  <bond atomRefs2="a40 a84" order="S"/>
                  <bond atomRefs2="a41 a87" order="S"/>
                  <bond atomRefs2="a42 a87" order="S"/>
                  <bond atomRefs2="a42 a79" order="S"/>
                  <bond atomRefs2="a43 a87" order="S"/>
                  <bond atomRefs2="a44 a84" order="S"/>
                  <bond atomRefs2="a44 a81" order="S"/>
                  <bond atomRefs2="a45 a80" order="S"/>
                  <bond atomRefs2="a46 a83" order="S"/>
                  <bond atomRefs2="a47 a88" order="S"/>
                  <bond atomRefs2="a48 a78" order="S"/>
                  <bond atomRefs2="a48 a90" order="S"/>
                  <bond atomRefs2="a49 a85" order="S"/>
                  <bond atomRefs2="a50 a80" order="S"/>
                  <bond atomRefs2="a51 a74" order="S"/>
                  <bond atomRefs2="a51 a78" order="S"/>
                  <bond atomRefs2="a52 a90" order="S"/>
                  <bond atomRefs2="a52 a86" order="S"/>
                  <bond atomRefs2="a53 a80" order="S"/>
                  <bond atomRefs2="a53 a73" order="S"/>
                  <bond atomRefs2="a54 a64" order="S"/>
                  <bond atomRefs2="a55 a89" order="S"/>
                  <bond atomRefs2="a56 a80" order="S"/>
                  <bond atomRefs2="a56 a89" order="S"/>
                  <bond atomRefs2="a57 a79" order="S"/>
                  <bond atomRefs2="a57 a89" order="S"/>
                  <bond atomRefs2="a58 a86" order="S"/>
                  <bond atomRefs2="a58 a85" order="S"/>
                  <bond atomRefs2="a59 a75" order="S"/>
                  <bond atomRefs2="a59 a86" order="S"/>
                  <bond atomRefs2="a60 a88" order="S"/>
                  <bond atomRefs2="a60 a76" order="S"/>
               </bondArray>
               <formula concise="Cu60O30">
                  <atomArray count="60 30" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4292.741999999995</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.30O">
                  <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;90/rA:90CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OO3O4O4O1O4OO3O4O3OO4O1O3O4O1O3OO4O3O3O4O3O4O4O4OO3O3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s24s26s27s28;s16s18;s10s13s15;s5s27s39s54;s6s8s11s17;s30;s3s21s22s31;s12s18;s19s25s30;s4s12s19s20;s2s4s9;s14s16;s5s6s7s53;s51;s32s36s59;s14s15s33s60;s1;s38s48s51;s42s57;s45s50s53s56;s22s25s44;s2s21s23;s1s36s37s46;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">840.0000</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 30</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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0.010015 0.009277 -0.024904 -0.115633 0.078228 0.716280 -0.128579 -0.080177 0.041271 0.041393 -0.039592 0.098636 0.027197 -0.065682 0.121051</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">-402.68638111</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-402.65857399</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-402.67247755</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.4651</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1055465E-02</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="2.29066"
                        xFract="0.16666662"
                        y3="0.84505"
                        yFract="0.08980304"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.0745"
                        xFract="0.16865245"
                        y3="7.90542"
                        yFract="0.84010499"
                        z3="8.17365"
                        zFract="0.25619205"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.13229"
                        xFract="0.16666634"
                        y3="5.55007"
                        yFract="0.58980313"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.97342"
                        xFract="0.51322129"
                        y3="7.40285"
                        yFract="0.78669713"
                        z3="9.0679"
                        zFract="0.28422112"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="9.04552"
                        xFract="0.50513838"
                        y3="5.13674"
                        yFract="0.54587876"
                        z3="9.04755"
                        zFract="0.28358327"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.01693"
                        xFract="0.50692535"
                        y3="6.30545"
                        yFract="0.67007699"
                        z3="11.56986"
                        zFract="0.36264168"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.03165"
                        xFract="0.15611136"
                        y3="6.77571"
                        yFract="0.72005128"
                        z3="10.77468"
                        zFract="0.33771784"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.84266"
                        xFract="0.4870592"
                        y3="8.77518"
                        yFract="0.93253395"
                        z3="11.53384"
                        zFract="0.36151269"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.06094"
                        xFract="0.16990025"
                        y3="9.09888"
                        yFract="0.96693338"
                        z3="10.8010"
                        zFract="0.3385428"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.26472"
                        xFract="0.186329"
                        y3="5.48098"
                        yFract="0.58246098"
                        z3="13.44306"
                        zFract="0.42135462"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="12.89172"
                        xFract="0.84333753"
                        y3="5.86927"
                        yFract="0.62372436"
                        z3="12.45201"
                        zFract="0.39029149"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.75561"
                        xFract="0.83299325"
                        y3="7.04899"
                        yFract="0.74909261"
                        z3="9.92204"
                        zFract="0.31099299"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.1470"
                        xFract="0.18633688"
                        y3="7.7862"
                        yFract="0.82743554"
                        z3="13.44072"
                        zFract="0.42128127"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.79643"
                        xFract="0.81072973"
                        y3="4.91137"
                        yFract="0.52192881"
                        z3="14.8959"
                        zFract="0.46689193"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.0108"
                        xFract="0.49953813"
                        y3="5.16009"
                        yFract="0.54836016"
                        z3="14.13422"
                        zFract="0.4430181"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.59771"
                        xFract="0.80904969"
                        y3="7.13724"
                        yFract="0.75847089"
                        z3="15.01481"
                        zFract="0.470619"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.14739"
                        xFract="0.54340598"
                        y3="7.26087"
                        yFract="0.77160899"
                        z3="14.25401"
                        zFract="0.44677275"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.72108"
                        xFract="0.82402278"
                        y3="8.33696"
                        yFract="0.88596453"
                        z3="12.52832"
                        zFract="0.39268332"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.85515"
                        xFract="0.83333299"
                        y3="5.94216"
                        yFract="0.63147034"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.80154"
                        xFract="0.84495603"
                        y3="4.51504"
                        yFract="0.47981102"
                        z3="10.08015"
                        zFract="0.31594873"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.0927"
                        xFract="0.1666661"
                        y3="6.72633"
                        yFract="0.71480369"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.01352"
                        xFract="0.49999988"
                        y3="5.15799"
                        yFract="0.54813699"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.12805"
                        xFract="0.16804929"
                        y3="5.52861"
                        yFract="0.58752259"
                        z3="8.18051"
                        zFract="0.25640707"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.89474"
                        xFract="0.49999983"
                        y3="8.68675"
                        yFract="0.92313653"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.89474"
                        xFract="0.83333323"
                        y3="4.7659"
                        yFract="0.50646979"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.01352"
                        xFract="0.16666733"
                        y3="9.07883"
                        yFract="0.96480268"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.97393"
                        xFract="0.50000049"
                        y3="6.33424"
                        yFract="0.67313648"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.93433"
                        xFract="0.50000006"
                        y3="7.51049"
                        yFract="0.79813598"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.77597"
                        xFract="0.83333422"
                        y3="8.29466"
                        yFract="0.88146933"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.81556"
                        xFract="0.8333336"
                        y3="7.11841"
                        yFract="0.75646983"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.05311"
                        xFract="0.16666671"
                        y3="7.90258"
                        yFract="0.83980318"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.3074"
                        xFract="0.1677125"
                        y3="0.85325"
                        yFract="0.09067445"
                        z3="8.19893"
                        zFract="0.25698442"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="11.0046"
                        xFract="0.84577999"
                        y3="3.5293"
                        yFract="0.37505693"
                        z3="12.20403"
                        zFract="0.38251889"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.01352"
                        xFract="0.83333328"
                        y3="1.23714"
                        yFract="0.13147024"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="8.11081"
                        xFract="0.83324916"
                        y3="0.13254"
                        yFract="0.01408496"
                        z3="9.92135"
                        zFract="0.31097136"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.25107"
                        xFract="0.16666639"
                        y3="2.02131"
                        yFract="0.21480359"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.17189"
                        xFract="0.50000016"
                        y3="0.45297"
                        yFract="0.04813689"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
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                  <bond atomRefs2="a34 a84" order="S"/>
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                  <bond atomRefs2="a51 a74" order="S"/>
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               <formula concise="Cu60O30">
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               </formula>
               <property dictRef="cml:molmass">
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               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.30O">
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               </formula>
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         </module>
      </module>
   </module>
</module>
