<?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">2022-08-03T22:08:22.000</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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                        z3="8.13709986"
                        zFract="0.25504644"/>
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                        z3="10.76728525"
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                        id="a24"
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                        id="a25"
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                        yFract="0.42301521"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a79"
                        x3="6.64231084"
                        xFract="0.41986795"
                        y3="3.19641936"
                        yFract="0.33968187"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a80"
                        x3="9.52353483"
                        xFract="0.91986795"
                        y3="0.84390982"
                        yFract="0.08968187"
                        z3="16.02765668"
                        zFract="0.50236532"/>
                  <atom elementType="O"
                        id="a81"
                        x3="4.72149485"
                        xFract="0.41986795"
                        y3="0.84390982"
                        yFract="0.08968187"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a82"
                        x3="4.72149491"
                        xFract="0.08653462"
                        y3="4.76475908"
                        yFract="0.50634854"
                        z3="12.52074261"
                        zFract="0.39244582"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a68" order="S"/>
                  <bond atomRefs2="a3 a66" order="S"/>
                  <bond atomRefs2="a3 a62" order="S"/>
                  <bond atomRefs2="a4 a68" order="S"/>
                  <bond atomRefs2="a5 a63" order="S"/>
                  <bond atomRefs2="a6 a64" order="S"/>
                  <bond atomRefs2="a8 a64" order="S"/>
                  <bond atomRefs2="a9 a68" order="S"/>
                  <bond atomRefs2="a10 a82" order="S"/>
                  <bond atomRefs2="a11 a64" order="S"/>
                  <bond atomRefs2="a14 a69" order="S"/>
                  <bond atomRefs2="a14 a71" order="S"/>
                  <bond atomRefs2="a15 a71" order="S"/>
                  <bond atomRefs2="a16 a69" order="S"/>
                  <bond atomRefs2="a17 a64" order="S"/>
                  <bond atomRefs2="a19 a67" order="S"/>
                  <bond atomRefs2="a20 a75" order="S"/>
                  <bond atomRefs2="a21 a66" order="S"/>
                  <bond atomRefs2="a22 a66" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a23 a78" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a25 a67" order="S"/>
                  <bond atomRefs2="a25 a74" 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="a30 a67" order="S"/>
                  <bond atomRefs2="a30 a65" order="S"/>
                  <bond atomRefs2="a31 a66" order="S"/>
                  <bond atomRefs2="a32 a70" order="S"/>
                  <bond atomRefs2="a33 a75" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a35 a77" order="S"/>
                  <bond atomRefs2="a36 a70" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a39 a79" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a40 a76" order="S"/>
                  <bond atomRefs2="a41 a79" order="S"/>
                  <bond atomRefs2="a42 a79" order="S"/>
                  <bond atomRefs2="a43 a79" order="S"/>
                  <bond atomRefs2="a44 a76" order="S"/>
                  <bond atomRefs2="a44 a74" order="S"/>
                  <bond atomRefs2="a45 a73" order="S"/>
                  <bond atomRefs2="a46 a62" order="S"/>
                  <bond atomRefs2="a47 a80" order="S"/>
                  <bond atomRefs2="a48 a72" order="S"/>
                  <bond atomRefs2="a48 a82" order="S"/>
                  <bond atomRefs2="a49 a77" order="S"/>
                  <bond atomRefs2="a49 a75" order="S"/>
                  <bond atomRefs2="a50 a73" order="S"/>
                  <bond atomRefs2="a51 a72" order="S"/>
                  <bond atomRefs2="a52 a82" order="S"/>
                  <bond atomRefs2="a52 a78" order="S"/>
                  <bond atomRefs2="a53 a73" order="S"/>
                  <bond atomRefs2="a54 a63" order="S"/>
                  <bond atomRefs2="a55 a81" order="S"/>
                  <bond atomRefs2="a56 a81" order="S"/>
                  <bond atomRefs2="a56 a73" order="S"/>
                  <bond atomRefs2="a57 a81" order="S"/>
                  <bond atomRefs2="a58 a77" order="S"/>
                  <bond atomRefs2="a58 a78" order="S"/>
                  <bond atomRefs2="a59 a70" order="S"/>
                  <bond atomRefs2="a59 a78" order="S"/>
                  <bond atomRefs2="a60 a80" order="S"/>
                  <bond atomRefs2="a60 a71" order="S"/>
               </bondArray>
               <formula concise="Cu60O22">
                  <atomArray count="60 22" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4164.746799999997</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.22O">
                  <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/rA:82CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OO4O4O1O4O3O3OO3O4O3O4O3O3O3O4O4O4OO3O3/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s24s26s27s28;s3s46;s5s27s39s54;s6s8s11s17;s30;s3s21s22s31;s19s25s30;s2s4s9;s14s16;s32s36s59;s14s15s33s60;s38s48s51;s45s50s53s56;s22s25s44;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">792.0000</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 22</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">-22.2279 -22.0882 -22.0537 -22.0461 -21.9268 -21.5811 -21.5701 -21.4696 -21.3700 -21.3282 -21.1913 -21.1074 -21.0715 -21.0072 -20.9058 -20.7404 -20.7283 -20.6311 -20.2178 -19.9207 -19.8953 -19.0436 -9.4281 -9.1987 -9.1163 -9.0976 -9.0773 -9.0349 -9.0042 -8.9801 -8.9452 -8.8959 -8.8810 -8.8279 -8.7718 -8.7260 -8.6956 -8.6528 -8.6147 -8.6048 -8.5870 -8.5416 -8.4911 -8.4318 -8.3851 -8.3637 -8.3495 -8.2548 -8.2419 -8.1553 -8.0621 -7.9881 -7.9643 -7.9238 -7.8588 -7.8287 -7.7838 -7.7631 -7.6893 -7.6746 -7.5843 -7.5617 -7.5309 -7.4831 -7.4570 -7.4234 -7.3969 -7.3700 -7.2799 -7.2745 -7.2353 -7.2151 -7.1854 -7.1397 -7.1128 -7.0123 -6.9900 -6.9236 -6.9088 -6.8374 -6.6244 -6.5378 -6.4970 -6.4547 -6.4304 -6.3295 -6.2853 -6.2270 -6.2093 -6.0869 -6.0604 -6.0292 -5.9844 -5.8997 -5.8174 -5.7555 -5.7349 -5.7050 -5.6888 -5.6583 -5.6314 -5.5997 -5.5849 -5.5533 -5.5362 -5.5052 -5.4788 -5.4476 -5.4379 -5.4303 -5.4144 -5.3841 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0.028637 0.173128 -0.275278 0.295106 -0.204826 -0.502419 -0.805816 0.653210 0.346738 0.164934 -0.142943 -0.174276 -0.028457 0.162825 0.064834 -0.647561 -0.370328 -0.137689 -0.020611 -0.004463 -0.017684 -0.610576 -1.504655 0.773877 -0.137540 -0.022868 -0.636236 0.235489 0.588552 -0.340412 -0.296932 -0.219047 0.025159 0.277264 0.033807 0.296145 0.297829 0.003024 -0.379059 -0.074818 -0.036939 -0.249502 0.147540 -0.051263 -0.095930 0.106195 -0.012035 -0.249347 0.053348 -0.054620 -0.154234 -0.106563 -0.230934 -0.105785 0.157289 -0.022416 -0.221672 0.352135 -0.223983 0.260095 -0.051514 -0.026723 -0.075033 0.121337 -0.000380 -0.115370 0.038213 0.051573 -0.203635 0.016157 0.036010 -0.091834 0.037004 -0.010985 0.051805 0.599827 0.981729 -0.346020 -0.511517 -0.141743 0.355574 0.763048 -0.332800 1.245657 -0.228312 0.151324 0.599490 -0.239617 0.477023 -0.695456 0.346871 -0.167531 0.069152 0.007068 -0.301933 -0.668249 0.015604 -0.068125 -0.546191 -0.024632 0.309239 -0.167088 0.310369 0.233459 0.472348 0.139117 0.066421 -0.316735 -0.579777 -0.151700 -0.324910 -0.442092 -0.112224 -0.055031 0.184591 0.299733 -0.294799 -0.170081 0.030357 0.055004 -0.043184 0.436193 -0.165610 0.006140 0.112818 -0.059251 -0.070313 -0.091450 0.233099 -0.084650 0.246263 -0.401672 0.117100 0.502221 0.443573 -0.584603 -0.908967 0.193200 0.136587 0.583171 -0.743228 0.295473 0.265656 -0.110298</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">-341.13485191</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-341.11673621</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-341.12579406</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.5475</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1968478E+00</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="2.32047"
                        xFract="0.16986743"
                        y3="0.84391"
                        yFract="0.08968189"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.81119"
                        xFract="0.15063785"
                        y3="7.79483"
                        yFract="0.82835265"
                        z3="8.22775"
                        zFract="0.25788775"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="6.16211"
                        xFract="0.16986818"
                        y3="5.54893"
                        yFract="0.58968199"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.30883"
                        xFract="0.54711885"
                        y3="7.41492"
                        yFract="0.7879798"
                        z3="8.82375"
                        zFract="0.27656856"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.93964"
                        xFract="0.48005572"
                        y3="5.3021"
                        yFract="0.56345149"
                        z3="9.1459"
                        zFract="0.28666592"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.59604"
                        xFract="0.45387623"
                        y3="6.41396"
                        yFract="0.68160829"
                        z3="11.47538"
                        zFract="0.35968034"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="7.19545"
                        xFract="0.1731241"
                        y3="6.77621"
                        yFract="0.72010441"
                        z3="10.68982"
                        zFract="0.33505802"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.08595"
                        xFract="0.5241522"
                        y3="8.63684"
                        yFract="0.91783262"
                        z3="11.2267"
                        zFract="0.3518858"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.88432"
                        xFract="0.15737027"
                        y3="9.02995"
                        yFract="0.95960822"
                        z3="10.87519"
                        zFract="0.34086819"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="6.42932"
                        xFract="0.17303876"
                        y3="5.8389"
                        yFract="0.62049695"
                        z3="12.82658"
                        zFract="0.40203188"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.02827"
                        xFract="0.85364558"
                        y3="5.91526"
                        yFract="0.62861169"
                        z3="12.3323"
                        zFract="0.38653934"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.74565"
                        xFract="0.8246695"
                        y3="7.1347"
                        yFract="0.75820096"
                        z3="9.4588"
                        zFract="0.29647335"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="7.96492"
                        xFract="0.15747991"
                        y3="7.90263"
                        yFract="0.8398085"
                        z3="12.85086"
                        zFract="0.40279291"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.71775"
                        xFract="0.77803929"
                        y3="5.19953"
                        yFract="0.55255143"
                        z3="14.78111"
                        zFract="0.46329399"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="8.95281"
                        xFract="0.4764995"
                        y3="5.36006"
                        yFract="0.56961087"
                        z3="13.5800"
                        zFract="0.42564682"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="13.87287"
                        xFract="0.80750673"
                        y3="7.49239"
                        yFract="0.7962125"
                        z3="14.46274"
                        zFract="0.45331511"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.17665"
                        xFract="0.53601949"
                        y3="7.38359"
                        yFract="0.78465038"
                        z3="13.90077"
                        zFract="0.43570092"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="14.99542"
                        xFract="0.86131287"
                        y3="8.23433"
                        yFract="0.87505809"
                        z3="12.29159"
                        zFract="0.38526334"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.88496"
                        xFract="0.83653465"
                        y3="5.94101"
                        yFract="0.63134813"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.1116"
                        xFract="0.83287059"
                        y3="5.03694"
                        yFract="0.53527307"
                        z3="9.66544"
                        zFract="0.3029502"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.12251"
                        xFract="0.16986776"
                        y3="6.72518"
                        yFract="0.71468148"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.04333"
                        xFract="0.50320153"
                        y3="5.15684"
                        yFract="0.54801478"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="6.12182"
                        xFract="0.12392448"
                        y3="6.0400"
                        yFract="0.64186775"
                        z3="8.05341"
                        zFract="0.25242329"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="11.92455"
                        xFract="0.50320063"
                        y3="8.68561"
                        yFract="0.92301539"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.92455"
                        xFract="0.83653403"
                        y3="4.76476"
                        yFract="0.50634864"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="9.04333"
                        xFract="0.16986813"
                        y3="9.07769"
                        yFract="0.96468153"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="10.00374"
                        xFract="0.5032013"
                        y3="6.3331"
                        yFract="0.67301534"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="10.96415"
                        xFract="0.50320191"
                        y3="7.50935"
                        yFract="0.79801483"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="14.80578"
                        xFract="0.83653502"
                        y3="8.29352"
                        yFract="0.88134818"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.84537"
                        xFract="0.83653441"
                        y3="7.11727"
                        yFract="0.75634869"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="8.08292"
                        xFract="0.16986752"
                        y3="7.90144"
                        yFract="0.83968204"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="2.37032"
                        xFract="0.18871229"
                        y3="0.6833"
                        yFract="0.07261395"
                        z3="8.26473"
                        zFract="0.25904683"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.92401"
                        xFract="0.82356862"
                        y3="3.69186"
                        yFract="0.3923321"
                        z3="12.45524"
                        zFract="0.39039273"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="9.04333"
                        xFract="0.83653493"
                        y3="1.23599"
                        yFract="0.13134803"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="8.08101"
                        xFract="0.87583539"
                        y3="-0.40488"
                        yFract="-0.04302639"
                        z3="10.00374"
                        zFract="0.31355376"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="3.28088"
                        xFract="0.16986804"
                        y3="2.02016"
                        yFract="0.21468138"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="5.2017"
                        xFract="0.50320182"
                        y3="0.45182"
                        yFract="0.04801468"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="5.39001"
                        xFract="0.53715719"
                        y3="0.28305"
                        yFract="0.03007958"
                        z3="13.75199"
                        zFract="0.43103761"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="8.08292"
                        xFract="0.50320092"
                        y3="3.98059"
                        yFract="0.42301529"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.08292"
                        xFract="0.83653432"
                        y3="0.05974"
                        yFract="0.00634854"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="5.2017"
                        xFract="0.16986842"
                        y3="4.37267"
                        yFract="0.46468143"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="6.16211"
                        xFract="0.50320158"
                        y3="1.62808"
                        yFract="0.17301524"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="7.12251"
                        xFract="0.50320116"
                        y3="2.80433"
                        yFract="0.29801473"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="10.00374"
                        xFract="0.8365347"
                        y3="2.41225"
                        yFract="0.25634859"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.32425"
                        xFract="0.55817819"
                        y3="2.40474"
                        yFract="0.2555505"
                        z3="13.82089"
                        zFract="0.43319719"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="4.24129"
                        xFract="0.16986781"
                        y3="3.19642"
                        yFract="0.33968194"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.68823"
                        xFract="0.80271558"
                        y3="-0.02586"
                        yFract="-0.00274813"
                        z3="14.54593"
                        zFract="0.45592259"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="4.43859"
                        xFract="0.21202722"
                        y3="2.94216"
                        yFract="0.31266186"
                        z3="13.18029"
                        zFract="0.41311845"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="9.9702"
                        xFract="0.82997847"
                        y3="2.44829"
                        yFract="0.26017854"
                        z3="9.95162"
                        zFract="0.31192013"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="9.28521"
                        xFract="0.8905242"
                        y3="0.89718"
                        yFract="0.09534287"
                        z3="12.46906"
                        zFract="0.3908259"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="2.19607"
                        xFract="0.17833428"
                        y3="0.59196"
                        yFract="0.06290729"
                        z3="12.99686"
                        zFract="0.40736908"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="5.35809"
                        xFract="0.16674817"
                        y3="4.60091"
                        yFract="0.48893638"
                        z3="10.71952"
                        zFract="0.33598892"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="8.04768"
                        xFract="0.47279254"
                        y3="4.29511"
                        yFract="0.45643917"
                        z3="11.45322"
                        zFract="0.35898576"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="10.96415"
                        xFract="0.83653531"
                        y3="3.5885"
                        yFract="0.38134808"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="3.3128"
                        xFract="0.17449747"
                        y3="2.0048"
                        yFract="0.21304908"
                        z3="10.68881"
                        zFract="0.33502636"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="6.34344"
                        xFract="0.53747247"
                        y3="1.44705"
                        yFract="0.15377727"
                        z3="11.39373"
                        zFract="0.35712113"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.31933"
                        xFract="0.53901096"
                        y3="0.17468"
                        yFract="0.01856316"
                        z3="8.58264"
                        zFract="0.2690113"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="7.19929"
                        xFract="0.50803224"
                        y3="2.84154"
                        yFract="0.30196902"
                        z3="9.01677"
                        zFract="0.28261852"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="4.26719"
                        xFract="0.1642424"
                        y3="3.29431"
                        yFract="0.35008466"
                        z3="8.18632"
                        zFract="0.25658918"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.63209"
                        xFract="0.7951273"
                        y3="2.44413"
                        yFract="0.25973646"
                        z3="14.73328"
                        zFract="0.46179483"/>
                  <atom elementType="O"
                        id="a61"
                        x3="10.48394"
                        xFract="0.41986752"
                        y3="7.90144"
                        yFract="0.83968204"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="O"
                        id="a62"
                        x3="4.72149"
                        xFract="0.08653403"
                        y3="4.76476"
                        yFract="0.50634864"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="O"
                        id="a63"
                        x3="9.52353"
                        xFract="0.58653403"
                        y3="4.76476"
                        yFract="0.50634864"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="O"
                        id="a64"
                        x3="11.49349"
                        xFract="0.60327092"
                        y3="6.98059"
                        yFract="0.74182377"
                        z3="12.03923"
                        zFract="0.37735346"/>
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                        id="a65"
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                  <bond atomRefs2="a21 a66" order="S"/>
                  <bond atomRefs2="a22 a66" order="S"/>
                  <bond atomRefs2="a22 a74" order="S"/>
                  <bond atomRefs2="a23 a78" order="S"/>
                  <bond atomRefs2="a24 a61" order="S"/>
                  <bond atomRefs2="a25 a67" order="S"/>
                  <bond atomRefs2="a25 a74" 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="a30 a65" order="S"/>
                  <bond atomRefs2="a30 a67" order="S"/>
                  <bond atomRefs2="a31 a66" order="S"/>
                  <bond atomRefs2="a32 a70" order="S"/>
                  <bond atomRefs2="a33 a71" order="S"/>
                  <bond atomRefs2="a33 a75" order="S"/>
                  <bond atomRefs2="a34 a77" order="S"/>
                  <bond atomRefs2="a34 a76" order="S"/>
                  <bond atomRefs2="a36 a70" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a38 a72" order="S"/>
                  <bond atomRefs2="a39 a63" order="S"/>
                  <bond atomRefs2="a39 a79" order="S"/>
                  <bond atomRefs2="a40 a76" order="S"/>
                  <bond atomRefs2="a41 a79" order="S"/>
                  <bond atomRefs2="a42 a79" order="S"/>
                  <bond atomRefs2="a43 a79" order="S"/>
                  <bond atomRefs2="a44 a74" order="S"/>
                  <bond atomRefs2="a44 a76" order="S"/>
                  <bond atomRefs2="a45 a47" order="S"/>
                  <bond atomRefs2="a45 a60" order="S"/>
                  <bond atomRefs2="a45 a73" order="S"/>
                  <bond atomRefs2="a46 a62" order="S"/>
                  <bond atomRefs2="a47 a80" order="S"/>
                  <bond atomRefs2="a48 a82" order="S"/>
                  <bond atomRefs2="a48 a72" order="S"/>
                  <bond atomRefs2="a49 a75" order="S"/>
                  <bond atomRefs2="a49 a77" order="S"/>
                  <bond atomRefs2="a50 a73" order="S"/>
                  <bond atomRefs2="a51 a72" order="S"/>
                  <bond atomRefs2="a52 a82" order="S"/>
                  <bond atomRefs2="a52 a78" order="S"/>
                  <bond atomRefs2="a53 a73" order="S"/>
                  <bond atomRefs2="a54 a63" order="S"/>
                  <bond atomRefs2="a55 a81" order="S"/>
                  <bond atomRefs2="a56 a81" order="S"/>
                  <bond atomRefs2="a56 a73" order="S"/>
                  <bond atomRefs2="a57 a81" order="S"/>
                  <bond atomRefs2="a58 a77" order="S"/>
                  <bond atomRefs2="a58 a78" order="S"/>
                  <bond atomRefs2="a59 a70" order="S"/>
                  <bond atomRefs2="a59 a78" order="S"/>
                  <bond atomRefs2="a60 a71" order="S"/>
                  <bond atomRefs2="a60 a80" order="S"/>
               </bondArray>
               <formula concise="Cu60O22">
                  <atomArray count="60 22" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4164.746799999997</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/60Cu.22O">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
