<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-03T18:57:00.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">9.60407997</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.074153507060773</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="2.27901368"
                        xFract="0.16416334"
                        y3="0.8602312"
                        yFract="0.18283267"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.08105361"
                        xFract="0.49749667"
                        y3="2.82065578"
                        yFract="0.59949933"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.16023761"
                        xFract="0.49749667"
                        y3="0.46814625"
                        yFract="0.09949933"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.12064561"
                        xFract="0.49749667"
                        y3="1.64440101"
                        yFract="0.34949933"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.23942168"
                        xFract="0.16416334"
                        y3="2.03648597"
                        yFract="0.43283267"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.0414616"
                        xFract="0.49749667"
                        y3="3.99691055"
                        yFract="0.84949933"
                        z3="11.64401393"
                        zFract="0.36496594"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.16023767"
                        xFract="0.16416334"
                        y3="4.38899551"
                        yFract="0.93283267"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="2.27901368"
                        xFract="0.16416334"
                        y3="0.8602312"
                        yFract="0.18283267"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.00186968"
                        xFract="0.83083001"
                        y3="1.25231611"
                        yFract="0.266166"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="9.96227767"
                        xFract="0.83083001"
                        y3="2.42857088"
                        yFract="0.516166"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="4.19982967"
                        xFract="0.16416334"
                        y3="3.21274074"
                        yFract="0.68283267"
                        z3="13.39747096"
                        zFract="0.41992569"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="8.04146168"
                        xFract="0.83083001"
                        y3="0.07606134"
                        yFract="0.016166"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.16023761"
                        xFract="0.49749667"
                        y3="0.46814625"
                        yFract="0.09949933"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="9.96227767"
                        xFract="0.83083001"
                        y3="2.42857088"
                        yFract="0.516166"
                        z3="15.150928"
                        zFract="0.47488544"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.08105361"
                        xFract="0.49749667"
                        y3="2.82065578"
                        yFract="0.59949933"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="10.92268567"
                        xFract="0.83083001"
                        y3="3.60482564"
                        yFract="0.766166"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="9.00186968"
                        xFract="0.83083001"
                        y3="1.25231611"
                        yFract="0.266166"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.04146168"
                        xFract="0.83083001"
                        y3="0.07606134"
                        yFract="0.016166"
                        z3="9.8905569"
                        zFract="0.31000619"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.23942168"
                        xFract="0.16416334"
                        y3="2.03648597"
                        yFract="0.43283267"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.16023761"
                        xFract="0.49749667"
                        y3="0.46814625"
                        yFract="0.09949933"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.27901368"
                        xFract="0.16416334"
                        y3="0.8602312"
                        yFract="0.18283267"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.0414616"
                        xFract="0.49749667"
                        y3="3.99691055"
                        yFract="0.84949933"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.04146168"
                        xFract="0.83083001"
                        y3="0.07606134"
                        yFract="0.016166"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.16023767"
                        xFract="0.16416334"
                        y3="4.38899551"
                        yFract="0.93283267"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.12064561"
                        xFract="0.49749667"
                        y3="1.64440101"
                        yFract="0.34949933"
                        z3="6.38364283"
                        zFract="0.20008669"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.08105361"
                        xFract="0.49749667"
                        y3="2.82065578"
                        yFract="0.59949933"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.96227767"
                        xFract="0.83083001"
                        y3="2.42857088"
                        yFract="0.516166"
                        z3="4.63018548"
                        zFract="0.14512693"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.19982967"
                        xFract="0.16416334"
                        y3="3.21274074"
                        yFract="0.68283267"
                        z3="2.87672844"
                        zFract="0.09016718"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.19982967"
                        xFract="0.16416334"
                        y3="3.21274074"
                        yFract="0.68283267"
                        z3="8.13709986"
                        zFract="0.25504644"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="10.92268567"
                        xFract="0.83083001"
                        y3="3.60482564"
                        yFract="0.766166"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="O"
                        id="a31"
                        x3="10.4424816"
                        xFract="0.74749667"
                        y3="3.99691055"
                        yFract="0.84949933"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="O"
                        id="a32"
                        x3="0.8384017"
                        xFract="0.08083001"
                        y3="0.07606134"
                        yFract="0.016166"
                        z3="2.00000008"
                        zFract="0.06268731"/>
                  <atom elementType="O"
                        id="a33"
                        x3="3.71962562"
                        xFract="0.24749667"
                        y3="1.64440101"
                        yFract="0.34949933"
                        z3="14.27419964"
                        zFract="0.44740557"/>
                  <atom elementType="O"
                        id="a34"
                        x3="10.4424816"
                        xFract="0.74749667"
                        y3="3.99691055"
                        yFract="0.84949933"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a35"
                        x3="7.56125768"
                        xFract="0.58083001"
                        y3="2.42857088"
                        yFract="0.516166"
                        z3="12.52074261"
                        zFract="0.39244582"/>
                  <atom elementType="O"
                        id="a36"
                        x3="3.71962562"
                        xFract="0.24749667"
                        y3="1.64440101"
                        yFract="0.34949933"
                        z3="3.75345712"
                        zFract="0.11764706"/>
                  <atom elementType="O"
                        id="a37"
                        x3="4.68003367"
                        xFract="0.41416334"
                        y3="0.8602312"
                        yFract="0.18283267"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a38"
                        x3="11.40288965"
                        xFract="0.91416334"
                        y3="3.21274074"
                        yFract="0.68283267"
                        z3="10.76728525"
                        zFract="0.33748606"/>
                  <atom elementType="O"
                        id="a39"
                        x3="9.48207366"
                        xFract="0.91416334"
                        y3="0.8602312"
                        yFract="0.18283267"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a40"
                        x3="5.64044161"
                        xFract="0.24749667"
                        y3="3.99691055"
                        yFract="0.84949933"
                        z3="9.01382822"
                        zFract="0.28252631"/>
                  <atom elementType="O"
                        id="a41"
                        x3="6.60084967"
                        xFract="0.41416334"
                        y3="3.21274074"
                        yFract="0.68283267"
                        z3="5.50691415"
                        zFract="0.17260681"/>
                  <atom elementType="O"
                        id="a42"
                        x3="9.48207366"
                        xFract="0.91416334"
                        y3="0.8602312"
                        yFract="0.18283267"
                        z3="16.02765668"
                        zFract="0.50236532"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.7592177"
                        xFract="0.08083001"
                        y3="2.42857088"
                        yFract="0.516166"
                        z3="7.26037119"
                        zFract="0.22756656"/>
                  <atom elementType="O"
                        id="a44"
                        x3="0.8384017"
                        xFract="0.08083001"
                        y3="0.07606134"
                        yFract="0.016166"
                        z3="12.52074261"
                        zFract="0.39244582"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a36" order="S"/>
                  <bond atomRefs2="a1 a32" order="S"/>
                  <bond atomRefs2="a2 a40" order="S"/>
                  <bond atomRefs2="a3 a37" order="S"/>
                  <bond atomRefs2="a4 a35" order="S"/>
                  <bond atomRefs2="a4 a37" order="S"/>
                  <bond atomRefs2="a5 a37" order="S"/>
                  <bond atomRefs2="a6 a35" order="S"/>
                  <bond atomRefs2="a7 a40" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a9 a35" order="S"/>
                  <bond atomRefs2="a10 a38" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a13 a33" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a15 a35" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a16 a31" order="S"/>
                  <bond atomRefs2="a17 a39" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a20 a36" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a41" order="S"/>
                  <bond atomRefs2="a23 a39" order="S"/>
                  <bond atomRefs2="a24 a41" order="S"/>
                  <bond atomRefs2="a25 a41" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a27 a34" order="S"/>
                  <bond atomRefs2="a28 a36" order="S"/>
                  <bond atomRefs2="a29 a43" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
               </bondArray>
               <formula concise="Cu30O14">
                  <atomArray count="30 14" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2130.3716000000013</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/30Cu.14O">
                  <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/rA:44CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO1O3O1O4O4O3OO3O3O4OO3O1/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s14s16;s1;s8s11s13;s27;s4s6s9s15;s1s19s20s28;s3s4s5;s10s16;s17s23s27;s2s7s29;s22s24s25s26;s12s14;s19s21s29;s8;/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">414.0000</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">30 14</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 7 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>
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0.109692 -0.089564 -0.064207 -0.090067 0.073539 0.074000 -0.005844 0.004771 0.000136 -0.077239 0.063065 -0.447129 -0.020748 0.016941 0.052650 0.010755 -0.008781 -0.081733 0.112662 -0.091988 -0.551669 0.008236 -0.006725 0.018880 -0.248223 0.202673 -0.132519 0.012014 -0.009810 -0.055156 -0.007920 0.006467 0.005918 -0.053594 0.043759 0.005106</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">-194.52330635</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-194.51158859</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-194.51744747</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.6702</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4628555E-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">6.074153507060773</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="2.27901"
                        xFract="0.16416306"
                        y3="0.86023"
                        yFract="0.18283241"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="7.48277"
                        xFract="0.56720911"
                        y3="2.49266"
                        yFract="0.52978744"
                        z3="8.63972"
                        zFract="0.27080039"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="5.39469"
                        xFract="0.53818264"
                        y3="0.27672"
                        yFract="0.05881379"
                        z3="8.26271"
                        zFract="0.25898352"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="6.29923"
                        xFract="0.52954171"
                        y3="1.48619"
                        yFract="0.31587332"
                        z3="10.90618"
                        zFract="0.34183953"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="3.34516"
                        xFract="0.18251297"
                        y3="1.95015"
                        yFract="0.41448291"
                        z3="10.14328"
                        zFract="0.31792746"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.2322"
                        xFract="0.52954299"
                        y3="3.85357"
                        yFract="0.81903387"
                        z3="10.90618"
                        zFract="0.34183953"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.28433"
                        xFract="0.18569753"
                        y3="4.28768"
                        yFract="0.91129917"
                        z3="10.27874"
                        zFract="0.32217327"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="2.50717"
                        xFract="0.20135039"
                        y3="0.70225"
                        yFract="0.14925551"
                        z3="12.74813"
                        zFract="0.39957297"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.10742"
                        xFract="0.84914733"
                        y3="1.16613"
                        yFract="0.24784809"
                        z3="11.77719"
                        zFract="0.36914016"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="9.86249"
                        xFract="0.83884838"
                        y3="2.21204"
                        yFract="0.47014475"
                        z3="9.34743"
                        zFract="0.29298261"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="4.40025"
                        xFract="0.20135039"
                        y3="3.02079"
                        yFract="0.64203565"
                        z3="12.74813"
                        zFract="0.39957297"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.52045"
                        xFract="0.73480872"
                        y3="0.56741"
                        yFract="0.12059675"
                        z3="14.47204"
                        zFract="0.45360661"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.28693"
                        xFract="0.51948273"
                        y3="0.3647"
                        yFract="0.07751297"
                        z3="13.31543"
                        zFract="0.41735423"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="9.37665"
                        xFract="0.73480799"
                        y3="2.84079"
                        yFract="0.60377864"
                        z3="14.47204"
                        zFract="0.45360661"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.91359"
                        xFract="0.46843541"
                        y3="2.95739"
                        yFract="0.62856068"
                        z3="13.6099"
                        zFract="0.42658399"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.05668"
                        xFract="0.85408301"
                        y3="3.49542"
                        yFract="0.74291303"
                        z3="11.77601"
                        zFract="0.36910318"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="9.00187"
                        xFract="0.83082971"
                        y3="1.25232"
                        yFract="0.26616683"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="8.23366"
                        xFract="0.83884828"
                        y3="0.21714"
                        yFract="0.04615072"
                        z3="9.34743"
                        zFract="0.29298261"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="3.23942"
                        xFract="0.16416282"
                        y3="2.03649"
                        yFract="0.43283353"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.16024"
                        xFract="0.4974966"
                        y3="0.46815"
                        yFract="0.09950013"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="2.42366"
                        xFract="0.19308021"
                        y3="0.69725"
                        yFract="0.14819281"
                        z3="7.87936"
                        zFract="0.24696793"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.04146"
                        xFract="0.49749655"
                        y3="3.99691"
                        yFract="0.84949921"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="8.04146"
                        xFract="0.83082995"
                        y3="0.07606"
                        yFract="0.01616572"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="5.16024"
                        xFract="0.1641632"
                        y3="4.3890"
                        yFract="0.93283363"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="6.12065"
                        xFract="0.49749721"
                        y3="1.6444"
                        yFract="0.34949911"
                        z3="6.38364"
                        zFract="0.2000866"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="7.08105"
                        xFract="0.49749594"
                        y3="2.82066"
                        yFract="0.59950023"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.96228"
                        xFract="0.83083033"
                        y3="2.42857"
                        yFract="0.51616581"
                        z3="4.63019"
                        zFract="0.14512707"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.19983"
                        xFract="0.16416344"
                        y3="3.21274"
                        yFract="0.68283251"
                        z3="2.87673"
                        zFract="0.09016723"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.38845"
                        xFract="0.19308076"
                        y3="3.10361"
                        yFract="0.65963813"
                        z3="7.87936"
                        zFract="0.24696793"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="10.92269"
                        xFract="0.83083009"
                        y3="3.60483"
                        yFract="0.76616693"
                        z3="7.26037"
                        zFract="0.22756652"/>
                  <atom elementType="O"
                        id="a31"
                        x3="10.64267"
                        xFract="0.78223662"
                        y3="3.83346"
                        yFract="0.81475971"
                        z3="13.55668"
                        zFract="0.42491588"/>
                  <atom elementType="O"
                        id="a32"
                        x3="0.8384"
                        xFract="0.08082995"
                        y3="0.07606"
                        yFract="0.01616572"
                        z3="2.0000"
                        zFract="0.06268731"/>
                  <atom elementType="O"
                        id="a33"
                        x3="3.87502"
                        xFract="0.27446357"
                        y3="1.51752"
                        yFract="0.32253217"
                        z3="13.62962"
                        zFract="0.42720209"/>
                  <atom elementType="O"
                        id="a34"
                        x3="10.44248"
                        xFract="0.74749655"
                        y3="3.99691"
                        yFract="0.84949921"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="O"
                        id="a35"
                        x3="7.65965"
                        xFract="0.59790423"
                        y3="2.34824"
                        yFract="0.49909256"
                        z3="11.83889"
                        zFract="0.37107407"/>
                  <atom elementType="O"
                        id="a36"
                        x3="3.71963"
                        xFract="0.24749721"
                        y3="1.6444"
                        yFract="0.34949911"
                        z3="3.75346"
                        zFract="0.11764715"/>
                  <atom elementType="O"
                        id="a37"
                        x3="4.80668"
                        xFract="0.43614078"
                        y3="0.75683"
                        yFract="0.16085588"
                        z3="10.05145"
                        zFract="0.31504917"/>
                  <atom elementType="O"
                        id="a38"
                        x3="11.49221"
                        xFract="0.92966384"
                        y3="3.13981"
                        yFract="0.66733204"
                        z3="10.02229"
                        zFract="0.31413519"/>
                  <atom elementType="O"
                        id="a39"
                        x3="9.48207"
                        xFract="0.91416306"
                        y3="0.86023"
                        yFract="0.18283241"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="O"
                        id="a40"
                        x3="5.96986"
                        xFract="0.3046632"
                        y3="3.72794"
                        yFract="0.7923326"
                        z3="8.6464"
                        zFract="0.27100977"/>
                  <atom elementType="O"
                        id="a41"
                        x3="6.60085"
                        xFract="0.41416344"
                        y3="3.21274"
                        yFract="0.68283251"
                        z3="5.50691"
                        zFract="0.17260668"/>
                  <atom elementType="O"
                        id="a42"
                        x3="7.84141"
                        xFract="0.62944669"
                        y3="2.19983"
                        yFract="0.46754965"
                        z3="15.17201"
                        zFract="0.47554623"/>
                  <atom elementType="O"
                        id="a43"
                        x3="2.77709"
                        xFract="0.08393137"
                        y3="2.41398"
                        yFract="0.51306487"
                        z3="7.23941"
                        zFract="0.22690956"/>
                  <atom elementType="O"
                        id="a44"
                        x3="0.9439"
                        xFract="0.0991381"
                        y3="-0.01008"
                        yFract="-0.00214239"
                        z3="12.02572"
                        zFract="0.37693"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a36" order="S"/>
                  <bond atomRefs2="a1 a32" order="S"/>
                  <bond atomRefs2="a2 a18" order="S"/>
                  <bond atomRefs2="a2 a10" order="S"/>
                  <bond atomRefs2="a2 a17" order="S"/>
                  <bond atomRefs2="a2 a40" order="S"/>
                  <bond atomRefs2="a3 a25" order="S"/>
                  <bond atomRefs2="a3 a37" order="S"/>
                  <bond atomRefs2="a4 a37" order="S"/>
                  <bond atomRefs2="a4 a35" order="S"/>
                  <bond atomRefs2="a5 a37" order="S"/>
                  <bond atomRefs2="a6 a35" order="S"/>
                  <bond atomRefs2="a7 a40" order="S"/>
                  <bond atomRefs2="a8 a44" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a35" order="S"/>
                  <bond atomRefs2="a10 a18" order="S"/>
                  <bond atomRefs2="a10 a17" order="S"/>
                  <bond atomRefs2="a10 a38" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a33" order="S"/>
                  <bond atomRefs2="a12 a15" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a42" order="S"/>
                  <bond atomRefs2="a13 a33" order="S"/>
                  <bond atomRefs2="a14 a15" order="S"/>
                  <bond atomRefs2="a14 a31" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a15 a35" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a31" order="S"/>
                  <bond atomRefs2="a16 a38" order="S"/>
                  <bond atomRefs2="a17 a18" order="S"/>
                  <bond atomRefs2="a17 a39" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a20 a36" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a41" order="S"/>
                  <bond atomRefs2="a23 a39" order="S"/>
                  <bond atomRefs2="a24 a41" order="S"/>
                  <bond atomRefs2="a25 a41" order="S"/>
                  <bond atomRefs2="a26 a41" order="S"/>
                  <bond atomRefs2="a27 a34" order="S"/>
                  <bond atomRefs2="a27 a39" order="S"/>
                  <bond atomRefs2="a28 a36" order="S"/>
                  <bond atomRefs2="a29 a43" order="S"/>
                  <bond atomRefs2="a29 a40" order="S"/>
               </bondArray>
               <formula concise="Cu30O14">
                  <atomArray count="30 14" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2130.3716000000013</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/30Cu.14O">
                  <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/rA:44CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuOO1O3O1O4O4O3OO3O3O4O3O3O1/rB:;;;;;;;;s2;;;s12;;s11s12s14;;s2s10;s2s10s17;;;;;;;s3;;;;;;s14s16;s1;s8s11s13;s27;s4s6s9s15;s1s19s20s28;s3s4s5;s10s16;s17s23s27;s2s7s29;s22s24s25s26;s12s14s15;s19s21s29;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
