<?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">2022-08-03T22:37:56.000</scalar>
               </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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                        yFract="0.08854142"
                        z3="2.87672844"
                        zFract="0.09016718"/>
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                        id="a2"
                        x3="8.02810121"
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                        y3="7.89070675"
                        yFract="0.83854142"
                        z3="8.13709986"
                        zFract="0.25504644"/>
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                        y3="5.14611226"
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                        z3="9.01382822"
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                        id="a6"
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                        z3="11.64401393"
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                        yFract="0.71354142"
                        z3="10.76728525"
                        zFract="0.33748606"/>
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                        id="a8"
                        x3="11.86973314"
                        xFract="0.49840548"
                        y3="8.67487657"
                        yFract="0.92187475"
                        z3="11.64401393"
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                        z3="13.39747096"
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                        z3="12.52074261"
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                        id="a13"
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                        y3="7.89070675"
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                        z3="13.39747096"
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                        z3="14.27419964"
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                        id="a18"
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                        y3="8.28279161"
                        yFract="0.88020808"
                        z3="12.52074261"
                        zFract="0.39244582"/>
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                        id="a19"
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                        xFract="0.83173882"
                        y3="5.93028208"
                        yFract="0.63020808"
                        z3="7.26037119"
                        zFract="0.22756656"/>
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                        id="a20"
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                        id="a21"
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                        id="a22"
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                        y3="5.14611226"
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                        id="a23"
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                        id="a24"
                        x3="11.86973314"
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                        y3="8.67487657"
                        yFract="0.92187475"
                        z3="6.38364283"
                        zFract="0.20008669"/>
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                        id="a25"
                        x3="11.86973318"
                        xFract="0.83173882"
                        y3="4.75402731"
                        yFract="0.50520808"
                        z3="4.63018548"
                        zFract="0.14512693"/>
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                        id="a26"
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                        zFract="0.17260681"/>
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                        id="a27"
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                        zFract="0.22756656"/>
                  <atom elementType="O"
                        id="a79"
                        x3="11.3895292"
                        xFract="0.91507215"
                        y3="3.18568768"
                        yFract="0.33854142"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a80"
                        x3="9.46871321"
                        xFract="0.91507215"
                        y3="0.83317814"
                        yFract="0.08854142"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a81"
                        x3="8.50830515"
                        xFract="0.74840548"
                        y3="1.61734795"
                        yFract="0.17187475"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a82"
                        x3="5.62708116"
                        xFract="0.24840548"
                        y3="3.96985749"
                        yFract="0.42187475"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a83"
                        x3="4.66667322"
                        xFract="0.41507215"
                        y3="0.83317814"
                        yFract="0.08854142"
                        z3="10.76728525"
                        zFract="0.33748606"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a73" order="S"/>
                  <bond atomRefs2="a2 a78" order="S"/>
                  <bond atomRefs2="a2 a68" order="S"/>
                  <bond atomRefs2="a3 a65" order="S"/>
                  <bond atomRefs2="a4 a68" order="S"/>
                  <bond atomRefs2="a4 a67" order="S"/>
                  <bond atomRefs2="a5 a63" order="S"/>
                  <bond atomRefs2="a5 a70" order="S"/>
                  <bond atomRefs2="a6 a64" order="S"/>
                  <bond atomRefs2="a6 a70" order="S"/>
                  <bond atomRefs2="a7 a70" order="S"/>
                  <bond atomRefs2="a8 a64" order="S"/>
                  <bond atomRefs2="a9 a68" order="S"/>
                  <bond atomRefs2="a10 a62" order="S"/>
                  <bond atomRefs2="a11 a64" order="S"/>
                  <bond atomRefs2="a12 a67" order="S"/>
                  <bond atomRefs2="a12 a66" order="S"/>
                  <bond atomRefs2="a13 a62" order="S"/>
                  <bond atomRefs2="a14 a69" order="S"/>
                  <bond atomRefs2="a15 a62" order="S"/>
                  <bond atomRefs2="a16 a69" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a18 a66" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a20 a67" order="S"/>
                  <bond atomRefs2="a20 a79" order="S"/>
                  <bond atomRefs2="a21 a65" order="S"/>
                  <bond atomRefs2="a21 a78" order="S"/>
                  <bond atomRefs2="a22 a77" order="S"/>
                  <bond atomRefs2="a22 a65" order="S"/>
                  <bond atomRefs2="a23 a78" order="S"/>
                  <bond atomRefs2="a23 a82" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a25 a77" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a27 a63" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a31 a65" order="S"/>
                  <bond atomRefs2="a32 a72" order="S"/>
                  <bond atomRefs2="a33 a79" order="S"/>
                  <bond atomRefs2="a34 a81" order="S"/>
                  <bond atomRefs2="a34 a80" order="S"/>
                  <bond atomRefs2="a35 a81" order="S"/>
                  <bond atomRefs2="a36 a72" order="S"/>
                  <bond atomRefs2="a38 a74" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a40 a80" order="S"/>
                  <bond atomRefs2="a42 a75" order="S"/>
                  <bond atomRefs2="a44 a80" order="S"/>
                  <bond atomRefs2="a44 a77" order="S"/>
                  <bond atomRefs2="a45 a76" order="S"/>
                  <bond atomRefs2="a48 a74" order="S"/>
                  <bond atomRefs2="a49 a81" order="S"/>
                  <bond atomRefs2="a49 a79" order="S"/>
                  <bond atomRefs2="a50 a76" order="S"/>
                  <bond atomRefs2="a51 a74" order="S"/>
                  <bond atomRefs2="a51 a71" order="S"/>
                  <bond atomRefs2="a52 a82" order="S"/>
                  <bond atomRefs2="a53 a70" order="S"/>
                  <bond atomRefs2="a53 a76" order="S"/>
                  <bond atomRefs2="a54 a63" order="S"/>
                  <bond atomRefs2="a55 a83" order="S"/>
                  <bond atomRefs2="a56 a76" order="S"/>
                  <bond atomRefs2="a56 a83" order="S"/>
                  <bond atomRefs2="a57 a75" order="S"/>
                  <bond atomRefs2="a57 a83" order="S"/>
                  <bond atomRefs2="a58 a82" order="S"/>
                  <bond atomRefs2="a58 a81" order="S"/>
                  <bond atomRefs2="a59 a72" order="S"/>
                  <bond atomRefs2="a59 a82" order="S"/>
               </bondArray>
               <formula concise="Cu60O23">
                  <atomArray count="60 23" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4180.746199999997</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.23O">
                  <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/rA:83CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O3O4O4O4OO4O3OO4O1O3O1O3OO4O3O3O3O3O4O4O3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s24s26s27s28;s10s13s15;s5s27s39s54;s6s8s11s17;s3s21s22s31;s12s18;s4s12s19s20;s2s4s9;s14s16;s5s6s7s53;s51;s32s36s59;s1;s38s48s51;s42s57;s45s50s53s56;s22s25s44;s2s21s23;s20s33s49;s34s40s44;s34s35s49s58;s23s52s58s59;s55s56s57;/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">798.0000</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 23</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>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="4800">-21.9609 -21.8606 -21.8254 -21.8095 -21.8005 -21.7219 -21.6750 -21.6694 -21.6472 -21.6150 -21.5690 -21.5631 -21.5338 -21.5190 -21.4752 -21.4100 -21.3262 -21.0962 -20.2665 -20.2457 -20.2355 -19.9410 -18.7337 -9.2393 -9.1917 -9.1873 -9.1223 -9.0803 -9.0490 -9.0247 -8.9757 -8.9591 -8.9394 -8.8995 -8.8837 -8.8610 -8.8138 -8.7948 -8.7387 -8.7123 -8.6735 -8.6286 -8.6029 -8.5947 -8.5643 -8.5587 -8.5202 -8.4697 -8.4354 -8.3983 -8.3259 -8.2675 -8.1756 -8.1519 -8.1126 -8.0811 -8.0295 -7.9728 -7.8888 -7.8337 -7.8213 -7.8097 -7.7360 -7.7344 -7.7077 -7.6837 -7.6649 -7.6479 -7.6233 -7.5963 -7.5897 -7.5635 -7.4958 -7.4900 -7.4789 -7.4481 -7.4074 -7.3839 -7.1971 -7.1310 -7.0459 -7.0228 -6.9059 -6.8446 -6.8220 -6.5397 -6.5262 -6.3014 -6.2796 -6.1532 -6.0873 -6.0668 -6.0063 -5.9765 -5.8636 -5.7874 -5.6358 -5.6135 -5.5909 -5.5658 -5.5218 -5.4775 -5.4605 -5.4154 -5.4004 -5.3708 -5.3424 -5.3393 -5.3242 -5.2965 -5.2843 -5.2675 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0.385482 0.213760 -0.262410 0.002852 -0.053412 -0.098240 0.003769 0.000909 -0.026139 -0.019825 0.007294 0.021112 -0.270330 0.219818 0.164225 -0.008761 0.013713 -0.067502 -0.023905 0.028010 -0.013433 -0.058263 -0.004307 -0.009904 0.411299 -0.714557 1.207351 0.167700 0.246157 0.056639 -0.190698 -0.419058 0.607009 0.075098 -0.054066 0.003265 -0.489464 0.037473 -0.077088 -0.007312 0.020292 -0.051002 0.046208 0.030985 -0.069942 0.451149 0.134002 0.304985 -0.116779 0.094606 -0.074020 -0.149496 0.091294 -0.188257 -0.016230 0.019411 -0.049139</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">-348.32623929</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-348.31953444</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-348.32288686</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.2356</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1387868E-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="2.26565"
                        xFract="0.16507166"
                        y3="0.83318"
                        yFract="0.08854162"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="8.03792"
                        xFract="0.16729295"
                        y3="7.87661"
                        yFract="0.83704337"
                        z3="8.23859"
                        zFract="0.25822751"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.10729"
                        xFract="0.16507241"
                        y3="5.5382"
                        yFract="0.58854172"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.91131"
                        xFract="0.49898042"
                        y3="7.49429"
                        yFract="0.79641441"
                        z3="9.13064"
                        zFract="0.28618762"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.99691"
                        xFract="0.4963652"
                        y3="5.1804"
                        yFract="0.55051849"
                        z3="9.02244"
                        zFract="0.28279623"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="10.04516"
                        xFract="0.51610657"
                        y3="6.23203"
                        yFract="0.66227468"
                        z3="11.65464"
                        zFract="0.365299"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.02182"
                        xFract="0.15670143"
                        y3="6.75673"
                        yFract="0.71803428"
                        z3="10.92264"
                        zFract="0.34235545"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.98089"
                        xFract="0.51589194"
                        y3="8.60533"
                        yFract="0.91448407"
                        z3="11.65831"
                        zFract="0.36541403"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.99073"
                        xFract="0.16574559"
                        y3="9.06176"
                        yFract="0.96298866"
                        z3="10.99048"
                        zFract="0.3444818"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="5.95438"
                        xFract="0.16697372"
                        y3="5.32856"
                        yFract="0.56626338"
                        z3="13.18496"
                        zFract="0.41326482"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.18946"
                        xFract="0.89392738"
                        y3="5.63886"
                        yFract="0.5992388"
                        z3="12.6051"
                        zFract="0.39508989"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.77848"
                        xFract="0.83168315"
                        y3="7.09241"
                        yFract="0.75370683"
                        z3="10.05113"
                        zFract="0.31503914"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.08631"
                        xFract="0.19193008"
                        y3="7.64608"
                        yFract="0.81254506"
                        z3="13.41717"
                        zFract="0.42054313"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.39621"
                        xFract="0.78206525"
                        y3="4.75837"
                        yFract="0.50566958"
                        z3="14.78544"
                        zFract="0.46342971"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.16978"
                        xFract="0.51510108"
                        y3="5.17174"
                        yFract="0.5495982"
                        z3="13.91671"
                        zFract="0.43620054"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.6935"
                        xFract="0.78202564"
                        y3="7.57243"
                        yFract="0.80471831"
                        z3="14.78438"
                        zFract="0.46339649"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.30839"
                        xFract="0.56743937"
                        y3="7.17536"
                        yFract="0.76252188"
                        z3="14.22476"
                        zFract="0.44585595"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.47068"
                        xFract="0.80998448"
                        y3="8.19541"
                        yFract="0.87092208"
                        z3="12.62641"
                        zFract="0.39575782"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.83014"
                        xFract="0.83173887"
                        y3="5.93028"
                        yFract="0.63020786"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.88541"
                        xFract="0.83167314"
                        y3="4.7740"
                        yFract="0.50733057"
                        z3="10.05444"
                        zFract="0.31514289"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.06769"
                        xFract="0.16507198"
                        y3="6.71445"
                        yFract="0.71354121"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.98851"
                        xFract="0.49840576"
                        y3="5.14611"
                        yFract="0.54687451"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.00738"
                        xFract="0.160715"
                        y3="5.46709"
                        yFract="0.58098489"
                        z3="8.0941"
                        zFract="0.25369867"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.86973"
                        xFract="0.49840486"
                        y3="8.67488"
                        yFract="0.92187511"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.86973"
                        xFract="0.83173826"
                        y3="4.75403"
                        yFract="0.50520837"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="8.98851"
                        xFract="0.16507236"
                        y3="9.06696"
                        yFract="0.96354126"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.94892"
                        xFract="0.49840552"
                        y3="6.32237"
                        yFract="0.67187507"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.90933"
                        xFract="0.49840614"
                        y3="7.49862"
                        yFract="0.79687456"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.75096"
                        xFract="0.83173925"
                        y3="8.28279"
                        yFract="0.88020791"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.79055"
                        xFract="0.83173864"
                        y3="7.10654"
                        yFract="0.75520842"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.0281"
                        xFract="0.16507175"
                        y3="7.89071"
                        yFract="0.83854177"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.28045"
                        xFract="0.16624285"
                        y3="0.83753"
                        yFract="0.08900389"
                        z3="8.25982"
                        zFract="0.25889294"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.94055"
                        xFract="0.80992084"
                        y3="3.87265"
                        yFract="0.41154456"
                        z3="12.62763"
                        zFract="0.39579606"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.98851"
                        xFract="0.83173916"
                        y3="1.22526"
                        yFract="0.13020776"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="8.0028"
                        xFract="0.82343031"
                        y3="0.11575"
                        yFract="0.01230069"
                        z3="9.96575"
                        zFract="0.31236302"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.22606"
                        xFract="0.16507227"
                        y3="2.00943"
                        yFract="0.21354111"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.14688"
                        xFract="0.49840605"
                        y3="0.44109"
                        yFract="0.04687441"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.15983"
                        xFract="0.51492121"
                        y3="0.26269"
                        yFract="0.02791593"
                        z3="13.91992"
                        zFract="0.43630115"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.0281"
                        xFract="0.49840515"
                        y3="3.96986"
                        yFract="0.42187502"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.0281"
                        xFract="0.83173855"
                        y3="0.04901"
                        yFract="0.00520827"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.14688"
                        xFract="0.16507265"
                        y3="4.36194"
                        yFract="0.46354116"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.10729"
                        xFract="0.49840581"
                        y3="1.61735"
                        yFract="0.17187497"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.06769"
                        xFract="0.49840538"
                        y3="2.7936"
                        yFract="0.29687446"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="9.94892"
                        xFract="0.83173892"
                        y3="2.40152"
                        yFract="0.25520832"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.39985"
                        xFract="0.55636572"
                        y3="2.51865"
                        yFract="0.26765566"
                        z3="14.25223"
                        zFract="0.44671696"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.18647"
                        xFract="0.16507203"
                        y3="3.18569"
                        yFract="0.33854167"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.53117"
                        xFract="0.78098402"
                        y3="0.0374"
                        yFract="0.00397448"
                        z3="14.50294"
                        zFract="0.45457513"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.36428"
                        xFract="0.16696294"
                        y3="3.38122"
                        yFract="0.35932054"
                        z3="13.18732"
                        zFract="0.41333879"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="9.88363"
                        xFract="0.82436181"
                        y3="2.40833"
                        yFract="0.25593201"
                        z3="9.96424"
                        zFract="0.31231569"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.0762"
                        xFract="0.84633786"
                        y3="1.16094"
                        yFract="0.12337251"
                        z3="12.73434"
                        zFract="0.39914074"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.52012"
                        xFract="0.19181338"
                        y3="0.83029"
                        yFract="0.0882345"
                        z3="13.41894"
                        zFract="0.42059861"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.07167"
                        xFract="0.15200294"
                        y3="4.42356"
                        yFract="0.47008949"
                        z3="11.0686"
                        zFract="0.34693037"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="8.03675"
                        xFract="0.49720337"
                        y3="3.99459"
                        yFract="0.42450306"
                        z3="11.61102"
                        zFract="0.36393179"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.90933"
                        xFract="0.83173954"
                        y3="3.57777"
                        yFract="0.38020781"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.17915"
                        xFract="0.15643955"
                        y3="2.05352"
                        yFract="0.21822653"
                        z3="10.92398"
                        zFract="0.34239745"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="6.08692"
                        xFract="0.49683404"
                        y3="1.61089"
                        yFract="0.17118847"
                        z3="11.61445"
                        zFract="0.3640393"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.12176"
                        xFract="0.49691015"
                        y3="0.42792"
                        yFract="0.04547484"
                        z3="9.02464"
                        zFract="0.28286519"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="7.02536"
                        xFract="0.49125868"
                        y3="2.82582"
                        yFract="0.30029846"
                        z3="9.04385"
                        zFract="0.2834673"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="4.25417"
                        xFract="0.16281956"
                        y3="3.2951"
                        yFract="0.35016861"
                        z3="8.09035"
                        zFract="0.25358113"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.86113"
                        xFract="0.78065387"
                        y3="2.89489"
                        yFract="0.3076385"
                        z3="14.50587"
                        zFract="0.45466697"/>
                  <atom elementType="O"
                        id="a61"
                        x3="10.42912"
                        xFract="0.41507175"
                        y3="7.89071"
                        yFract="0.83854177"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="O"
                        id="a62"
                        x3="7.50826"
                        xFract="0.26836558"
                        y3="6.03904"
                        yFract="0.64176573"
                        z3="14.03287"
                        zFract="0.43984142"/>
                  <atom elementType="O"
                        id="a63"
                        x3="9.46871"
                        xFract="0.58173826"
                        y3="4.75403"
                        yFract="0.50520837"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="O"
                        id="a64"
                        x3="11.64837"
                        xFract="0.62623945"
                        y3="6.90011"
                        yFract="0.7332712"
                        z3="12.29096"
                        zFract="0.38524359"/>
                  <atom elementType="O"
                        id="a65"
                        x3="7.5479"
                        xFract="0.24840552"
                        y3="6.32237"
                        yFract="0.67187507"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="O"
                        id="a66"
                        x3="15.2129"
                        xFract="0.90587019"
                        y3="7.97658"
                        yFract="0.84766713"
                        z3="10.87972"
                        zFract="0.34101018"/>
                  <atom elementType="O"
                        id="a67"
                        x3="12.36941"
                        xFract="0.75143597"
                        y3="6.31057"
                        yFract="0.67062109"
                        z3="9.09948"
                        zFract="0.28521095"/>
                  <atom elementType="O"
                        id="a68"
                        x3="9.4482"
                        xFract="0.24488441"
                        y3="8.69117"
                        yFract="0.92360624"
                        z3="9.18846"
                        zFract="0.28799991"/>
                  <atom elementType="O"
                        id="a69"
                        x3="12.61676"
                        xFract="0.79448622"
                        y3="6.10713"
                        yFract="0.64900162"
                        z3="15.25285"
                        zFract="0.47808005"/>
                  <atom elementType="O"
                        id="a70"
                        x3="8.49341"
                        xFract="0.40796862"
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                  <bond atomRefs2="a21 a65" order="S"/>
                  <bond atomRefs2="a22 a65" order="S"/>
                  <bond atomRefs2="a22 a77" order="S"/>
                  <bond atomRefs2="a23 a78" order="S"/>
                  <bond atomRefs2="a23 a82" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a25 a77" order="S"/>
                  <bond atomRefs2="a26 a61" order="S"/>
                  <bond atomRefs2="a27 a63" order="S"/>
                  <bond atomRefs2="a27 a61" order="S"/>
                  <bond atomRefs2="a28 a61" order="S"/>
                  <bond atomRefs2="a31 a65" order="S"/>
                  <bond atomRefs2="a32 a72" order="S"/>
                  <bond atomRefs2="a33 a60" order="S"/>
                  <bond atomRefs2="a33 a79" order="S"/>
                  <bond atomRefs2="a34 a81" order="S"/>
                  <bond atomRefs2="a34 a80" order="S"/>
                  <bond atomRefs2="a35 a81" order="S"/>
                  <bond atomRefs2="a36 a72" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a74" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a40 a80" order="S"/>
                  <bond atomRefs2="a42 a75" order="S"/>
                  <bond atomRefs2="a44 a77" order="S"/>
                  <bond atomRefs2="a44 a80" order="S"/>
                  <bond atomRefs2="a45 a50" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a76" order="S"/>
                  <bond atomRefs2="a47 a50" order="S"/>
                  <bond atomRefs2="a48 a52" order="S"/>
                  <bond atomRefs2="a48 a74" order="S"/>
                  <bond atomRefs2="a49 a79" order="S"/>
                  <bond atomRefs2="a49 a81" order="S"/>
                  <bond atomRefs2="a50 a60" order="S"/>
                  <bond atomRefs2="a50 a76" order="S"/>
                  <bond atomRefs2="a51 a71" order="S"/>
                  <bond atomRefs2="a51 a74" order="S"/>
                  <bond atomRefs2="a52 a82" order="S"/>
                  <bond atomRefs2="a53 a70" order="S"/>
                  <bond atomRefs2="a53 a76" order="S"/>
                  <bond atomRefs2="a54 a63" order="S"/>
                  <bond atomRefs2="a55 a83" order="S"/>
                  <bond atomRefs2="a56 a83" order="S"/>
                  <bond atomRefs2="a56 a76" order="S"/>
                  <bond atomRefs2="a57 a83" order="S"/>
                  <bond atomRefs2="a57 a75" order="S"/>
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                  <bond atomRefs2="a59 a82" order="S"/>
                  <bond atomRefs2="a59 a72" order="S"/>
               </bondArray>
               <formula concise="Cu60O23">
                  <atomArray count="60 23" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4180.746199999997</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.23O">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
