<?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">2022-08-03T17:27:49.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">8.59015027</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">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.06978451"
                        xFract="0.24094858"
                        y3="2.06978451"
                        yFract="0.24094858"
                        z3="4.18622092"
                        zFract="0.48732802"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="6.36485964"
                        xFract="0.74094858"
                        y3="6.36485964"
                        yFract="0.74094858"
                        z3="4.18622092"
                        zFract="0.48732802"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.51239721"
                        xFract="0.99094858"
                        y3="6.36485964"
                        yFract="0.74094858"
                        z3="2.03868336"
                        zFract="0.23732802"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="8.51239721"
                        xFract="0.99094858"
                        y3="4.21732208"
                        yFract="0.49094858"
                        z3="4.18622092"
                        zFract="0.48732802"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="6.36485964"
                        xFract="0.74094858"
                        y3="4.21732208"
                        yFract="0.49094858"
                        z3="2.03868336"
                        zFract="0.23732802"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="8.51239721"
                        xFract="0.99094858"
                        y3="2.06978451"
                        yFract="0.24094858"
                        z3="2.03868336"
                        zFract="0.23732802"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="6.36485964"
                        xFract="0.74094858"
                        y3="2.06978451"
                        yFract="0.24094858"
                        z3="4.18622092"
                        zFract="0.48732802"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.36485964"
                        xFract="0.74094858"
                        y3="8.51239721"
                        yFract="0.99094858"
                        z3="2.03868336"
                        zFract="0.23732802"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.51239721"
                        xFract="0.99094858"
                        y3="8.51239721"
                        yFract="0.99094858"
                        z3="4.18622092"
                        zFract="0.48732802"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="4.21732208"
                        xFract="0.49094858"
                        y3="8.51239721"
                        yFract="0.99094858"
                        z3="8.48129606"
                        zFract="0.98732802"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.06978451"
                        xFract="0.24094858"
                        y3="8.51239721"
                        yFract="0.99094858"
                        z3="6.33375849"
                        zFract="0.73732802"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.21732208"
                        xFract="0.49094858"
                        y3="6.36485964"
                        yFract="0.74094858"
                        z3="6.33375849"
                        zFract="0.73732802"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="2.06978451"
                        xFract="0.24094858"
                        y3="6.36485964"
                        yFract="0.74094858"
                        z3="8.48129606"
                        zFract="0.98732802"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.51239721"
                        xFract="0.99094858"
                        y3="4.21732208"
                        yFract="0.49094858"
                        z3="8.48129606"
                        zFract="0.98732802"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="6.36485964"
                        xFract="0.74094858"
                        y3="4.21732208"
                        yFract="0.49094858"
                        z3="6.33375849"
                        zFract="0.73732802"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.21732208"
                        xFract="0.49094858"
                        y3="8.51239721"
                        yFract="0.99094858"
                        z3="4.18622092"
                        zFract="0.48732802"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="2.06978451"
                        xFract="0.24094858"
                        y3="8.51239721"
                        yFract="0.99094858"
                        z3="2.03868336"
                        zFract="0.23732802"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="4.21732208"
                        xFract="0.49094858"
                        y3="6.36485964"
                        yFract="0.74094858"
                        z3="2.03868336"
                        zFract="0.23732802"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="2.06978451"
                        xFract="0.24094858"
                        y3="6.36485964"
                        yFract="0.74094858"
                        z3="4.18622092"
                        zFract="0.48732802"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="6.36485964"
                        xFract="0.74094858"
                        y3="6.36485964"
                        yFract="0.74094858"
                        z3="8.48129606"
                        zFract="0.98732802"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.51239721"
                        xFract="0.99094858"
                        y3="6.36485964"
                        yFract="0.74094858"
                        z3="6.33375849"
                        zFract="0.73732802"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.21732208"
                        xFract="0.49094858"
                        y3="4.21732208"
                        yFract="0.49094858"
                        z3="8.48129606"
                        zFract="0.98732802"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="2.06978451"
                        xFract="0.24094858"
                        y3="4.21732208"
                        yFract="0.49094858"
                        z3="6.33375849"
                        zFract="0.73732802"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.21732208"
                        xFract="0.49094858"
                        y3="2.06978451"
                        yFract="0.24094858"
                        z3="6.33375849"
                        zFract="0.73732802"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="2.06978451"
                        xFract="0.24094858"
                        y3="2.06978451"
                        yFract="0.24094858"
                        z3="8.48129606"
                        zFract="0.98732802"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="6.36485964"
                        xFract="0.74094858"
                        y3="8.51239721"
                        yFract="0.99094858"
                        z3="6.33375849"
                        zFract="0.73732802"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="8.51239721"
                        xFract="0.99094858"
                        y3="8.51239721"
                        yFract="0.99094858"
                        z3="8.48129606"
                        zFract="0.98732802"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.21732208"
                        xFract="0.49094858"
                        y3="4.21732208"
                        yFract="0.49094858"
                        z3="4.18622092"
                        zFract="0.48732802"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.06978451"
                        xFract="0.24094858"
                        y3="4.21732208"
                        yFract="0.49094858"
                        z3="2.03868336"
                        zFract="0.23732802"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="4.21732208"
                        xFract="0.49094858"
                        y3="2.06978451"
                        yFract="0.24094858"
                        z3="2.03868336"
                        zFract="0.23732802"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="6.36485964"
                        xFract="0.74094858"
                        y3="2.06978451"
                        yFract="0.24094858"
                        z3="8.48129606"
                        zFract="0.98732802"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="8.51239721"
                        xFract="0.99094858"
                        y3="2.06978451"
                        yFract="0.24094858"
                        z3="6.33375849"
                        zFract="0.73732802"/>
                  <atom elementType="O"
                        id="a33"
                        x3="7.43862843"
                        xFract="0.86594858"
                        y3="7.43862843"
                        yFract="0.86594858"
                        z3="3.11245214"
                        zFract="0.36232802"/>
                  <atom elementType="O"
                        id="a34"
                        x3="5.29109086"
                        xFract="0.61594858"
                        y3="5.29109086"
                        yFract="0.61594858"
                        z3="0.96491457"
                        zFract="0.11232802"/>
                  <atom elementType="O"
                        id="a35"
                        x3="5.29109086"
                        xFract="0.61594858"
                        y3="0.99601573"
                        yFract="0.11594858"
                        z3="5.25998971"
                        zFract="0.61232802"/>
                  <atom elementType="O"
                        id="a36"
                        x3="0.99601573"
                        xFract="0.11594858"
                        y3="5.29109086"
                        yFract="0.61594858"
                        z3="5.25998971"
                        zFract="0.61232802"/>
                  <atom elementType="O"
                        id="a37"
                        x3="7.43862843"
                        xFract="0.86594858"
                        y3="3.14355329"
                        yFract="0.36594858"
                        z3="3.11245214"
                        zFract="0.36232802"/>
                  <atom elementType="O"
                        id="a38"
                        x3="0.99601573"
                        xFract="0.11594858"
                        y3="5.29109086"
                        yFract="0.61594858"
                        z3="0.96491457"
                        zFract="0.11232802"/>
                  <atom elementType="O"
                        id="a39"
                        x3="3.14355329"
                        xFract="0.36594858"
                        y3="7.43862843"
                        yFract="0.86594858"
                        z3="3.11245214"
                        zFract="0.36232802"/>
                  <atom elementType="O"
                        id="a40"
                        x3="0.99601573"
                        xFract="0.11594858"
                        y3="0.99601573"
                        yFract="0.11594858"
                        z3="5.25998971"
                        zFract="0.61232802"/>
                  <atom elementType="O"
                        id="a41"
                        x3="3.14355329"
                        xFract="0.36594858"
                        y3="3.14355329"
                        yFract="0.36594858"
                        z3="3.11245214"
                        zFract="0.36232802"/>
                  <atom elementType="O"
                        id="a42"
                        x3="7.43862843"
                        xFract="0.86594858"
                        y3="3.14355329"
                        yFract="0.36594858"
                        z3="7.40752727"
                        zFract="0.86232802"/>
                  <atom elementType="O"
                        id="a43"
                        x3="5.29109086"
                        xFract="0.61594858"
                        y3="5.29109086"
                        yFract="0.61594858"
                        z3="5.25998971"
                        zFract="0.61232802"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a40" order="S"/>
                  <bond atomRefs2="a1 a41" order="S"/>
                  <bond atomRefs2="a2 a43" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a4 a37" order="S"/>
                  <bond atomRefs2="a5 a37" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a6 a37" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a8 a33" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a17 a39" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a18 a39" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a19 a39" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a31 a42" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
               </bondArray>
               <formula concise="Cu32O11">
                  <atomArray count="32 11" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2209.465400000003</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.11O">
                  <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/rA:43CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4OOOO4O1O4O1O4O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s2s3s8s9;s5s18;s7s24;s19s23;s4s5s6s7;s29;s16s17s18s19;s1;s1s28s29s30;s14s15s31s32;s2s12s15s28;/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">418.0000</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">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</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">32 11</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 4</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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0.008884 0.002286 -0.001841 0.004635 0.000661 0.003474 -0.003219 -0.012662 -0.015722 0.001487 -0.000803 -0.009213 0.001192 -0.008037 -0.001305 -0.009074 0.003784 -0.002281 -0.002810 0.006769 0.000607 -0.014041 0.001951 0.002803 -0.010273 0.006723 0.005892 0.012891 -0.000830 0.005776 0.004025 -0.004703 0.005901 -0.005559 0.002426 -0.003852 0.011991 0.009413 0.005209 -0.000708</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">-188.34541944</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-188.34541944</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-188.34541944</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">2.7328</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4359737E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">7.869144966580446</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">8.303157565643485</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">8.314357977735394</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.51</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.19</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.51</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="1.98566"
                        xFract="0.25421164"
                        y3="1.9168"
                        yFract="0.23410236"
                        z3="4.03788"
                        zFract="0.48714552"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.67461"
                        xFract="0.72537891"
                        y3="6.17708"
                        yFract="0.74929139"
                        z3="4.08724"
                        zFract="0.49620501"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.75536"
                        xFract="0.98935681"
                        y3="6.20283"
                        yFract="0.75231603"
                        z3="1.76814"
                        zFract="0.21774803"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="0.00027"
                        xFract="0.00310702"
                        y3="4.05844"
                        yFract="0.49100624"
                        z3="4.14427"
                        zFract="0.50065242"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="5.8590"
                        xFract="0.7471598"
                        y3="4.01253"
                        yFract="0.48748286"
                        z3="1.81129"
                        zFract="0.22133268"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="0.04309"
                        xFract="0.00679148"
                        y3="1.80122"
                        yFract="0.21781493"
                        z3="1.59831"
                        zFract="0.19322221"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="5.90412"
                        xFract="0.75219567"
                        y3="1.9560"
                        yFract="0.24097184"
                        z3="4.00026"
                        zFract="0.48351859"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.67061"
                        xFract="0.72096511"
                        y3="0.00918"
                        yFract="0.00509338"
                        z3="1.60568"
                        zFract="0.19440158"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="7.69124"
                        xFract="0.98269948"
                        y3="8.11053"
                        yFract="0.98320563"
                        z3="3.95036"
                        zFract="0.48123512"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="3.7909"
                        xFract="0.48794635"
                        y3="8.23767"
                        yFract="0.99859187"
                        z3="8.16373"
                        zFract="0.9872062"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="1.94812"
                        xFract="0.25339317"
                        y3="8.18812"
                        yFract="0.99070617"
                        z3="6.46757"
                        zFract="0.7827566"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="3.70177"
                        xFract="0.47532188"
                        y3="6.52368"
                        yFract="0.79117761"
                        z3="6.41412"
                        zFract="0.77582267"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="1.96988"
                        xFract="0.25555121"
                        y3="6.49095"
                        yFract="0.78717978"
                        z3="8.11847"
                        zFract="0.98041312"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="-0.00836"
                        xFract="0.00276913"
                        y3="3.97335"
                        yFract="0.48288381"
                        z3="8.16836"
                        zFract="0.98461365"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="5.65487"
                        xFract="0.72213511"
                        y3="4.08005"
                        yFract="0.49782773"
                        z3="6.20293"
                        zFract="0.7495406"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.80289"
                        xFract="0.48862995"
                        y3="8.22113"
                        yFract="0.99440907"
                        z3="4.01417"
                        zFract="0.48809965"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="1.7797"
                        xFract="0.22654513"
                        y3="0.09371"
                        yFract="0.01312712"
                        z3="1.61599"
                        zFract="0.19481661"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="3.79484"
                        xFract="0.48604951"
                        y3="6.21606"
                        yFract="0.75171926"
                        z3="1.77015"
                        zFract="0.21711073"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="1.79784"
                        xFract="0.23269686"
                        y3="6.13548"
                        yFract="0.74216969"
                        z3="4.15086"
                        zFract="0.50296721"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="5.86988"
                        xFract="0.75110809"
                        y3="6.39098"
                        yFract="0.7772656"
                        z3="8.05941"
                        zFract="0.97412826"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.67511"
                        xFract="0.98015802"
                        y3="6.34363"
                        yFract="0.77166751"
                        z3="6.37128"
                        zFract="0.77146195"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="3.7050"
                        xFract="0.47448827"
                        y3="3.65682"
                        yFract="0.44678512"
                        z3="8.11296"
                        zFract="0.97861047"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.98668"
                        xFract="0.25578672"
                        y3="3.69784"
                        yFract="0.44983668"
                        z3="6.34099"
                        zFract="0.76511929"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="3.69713"
                        xFract="0.47219298"
                        y3="1.93757"
                        yFract="0.23879635"
                        z3="6.3899"
                        zFract="0.77043567"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.87957"
                        xFract="0.2415386"
                        y3="1.88097"
                        yFract="0.23192025"
                        z3="8.17756"
                        zFract="0.98501443"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.92136"
                        xFract="0.75824586"
                        y3="8.09191"
                        yFract="0.98124881"
                        z3="6.33944"
                        zFract="0.76818256"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="7.73915"
                        xFract="0.98967254"
                        y3="8.19292"
                        yFract="0.99537388"
                        z3="8.13983"
                        zFract="0.98519087"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="3.81148"
                        xFract="0.48743927"
                        y3="4.05454"
                        yFract="0.49262978"
                        z3="4.11516"
                        zFract="0.49800181"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="2.00278"
                        xFract="0.25707095"
                        y3="3.94762"
                        yFract="0.47755053"
                        z3="1.8476"
                        zFract="0.22480212"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="3.93005"
                        xFract="0.50072009"
                        y3="1.73177"
                        yFract="0.21160131"
                        z3="1.59938"
                        zFract="0.19418319"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="5.66692"
                        xFract="0.72109147"
                        y3="1.69649"
                        yFract="0.2074249"
                        z3="-0.07788"
                        zFract="-0.00718448"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="7.84299"
                        xFract="0.99895184"
                        y3="1.80468"
                        yFract="0.22498854"
                        z3="6.2087"
                        zFract="0.74949733"/>
                  <atom elementType="O"
                        id="a33"
                        x3="6.57476"
                        xFract="0.84006888"
                        y3="7.17265"
                        yFract="0.86902739"
                        z3="2.81874"
                        zFract="0.34437073"/>
                  <atom elementType="O"
                        id="a34"
                        x3="4.80999"
                        xFract="0.61420434"
                        y3="5.06368"
                        yFract="0.61291154"
                        z3="0.6880"
                        zFract="0.08655779"/>
                  <atom elementType="O"
                        id="a35"
                        x3="4.89881"
                        xFract="0.62412042"
                        y3="0.94892"
                        yFract="0.11975204"
                        z3="5.19451"
                        zFract="0.62639249"/>
                  <atom elementType="O"
                        id="a36"
                        x3="0.91455"
                        xFract="0.1201124"
                        y3="5.0723"
                        yFract="0.61430051"
                        z3="5.42061"
                        zFract="0.65491915"/>
                  <atom elementType="O"
                        id="a37"
                        x3="6.9926"
                        xFract="0.89084923"
                        y3="2.95875"
                        yFract="0.36174577"
                        z3="2.86198"
                        zFract="0.34739291"/>
                  <atom elementType="O"
                        id="a38"
                        x3="1.06648"
                        xFract="0.13855707"
                        y3="5.17448"
                        yFract="0.62426004"
                        z3="0.82891"
                        zFract="0.10272826"/>
                  <atom elementType="O"
                        id="a39"
                        x3="2.67348"
                        xFract="0.34432776"
                        y3="7.22596"
                        yFract="0.87333209"
                        z3="2.8988"
                        zFract="0.35315599"/>
                  <atom elementType="O"
                        id="a40"
                        x3="1.0030"
                        xFract="0.12891447"
                        y3="0.77736"
                        yFract="0.09688129"
                        z3="5.09627"
                        zFract="0.61361217"/>
                  <atom elementType="O"
                        id="a41"
                        x3="3.0810"
                        xFract="0.39371308"
                        y3="2.87436"
                        yFract="0.34944007"
                        z3="2.90491"
                        zFract="0.35163569"/>
                  <atom elementType="O"
                        id="a42"
                        x3="6.68737"
                        xFract="0.85288846"
                        y3="2.89851"
                        yFract="0.35660091"
                        z3="7.16682"
                        zFract="0.86506919"/>
                  <atom elementType="O"
                        id="a43"
                        x3="4.58521"
                        xFract="0.58666751"
                        y3="5.26423"
                        yFract="0.63936964"
                        z3="5.27244"
                        zFract="0.63802239"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a41" order="S"/>
                  <bond atomRefs2="a1 a40" order="S"/>
                  <bond atomRefs2="a2 a43" order="S"/>
                  <bond atomRefs2="a2 a33" order="S"/>
                  <bond atomRefs2="a3 a33" order="S"/>
                  <bond atomRefs2="a4 a36" order="S"/>
                  <bond atomRefs2="a5 a37" order="S"/>
                  <bond atomRefs2="a5 a34" order="S"/>
                  <bond atomRefs2="a6 a17" order="S"/>
                  <bond atomRefs2="a7 a37" order="S"/>
                  <bond atomRefs2="a7 a35" order="S"/>
                  <bond atomRefs2="a8 a30" order="S"/>
                  <bond atomRefs2="a8 a31" order="S"/>
                  <bond atomRefs2="a9 a33" order="S"/>
                  <bond atomRefs2="a10 a13" order="S"/>
                  <bond atomRefs2="a10 a11" order="S"/>
                  <bond atomRefs2="a10 a12" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a12 a13" order="S"/>
                  <bond atomRefs2="a12 a43" order="S"/>
                  <bond atomRefs2="a15 a43" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a39" order="S"/>
                  <bond atomRefs2="a18 a39" order="S"/>
                  <bond atomRefs2="a18 a34" order="S"/>
                  <bond atomRefs2="a19 a39" order="S"/>
                  <bond atomRefs2="a19 a36" order="S"/>
                  <bond atomRefs2="a20 a27" order="S"/>
                  <bond atomRefs2="a20 a21" order="S"/>
                  <bond atomRefs2="a20 a26" order="S"/>
                  <bond atomRefs2="a21 a27" order="S"/>
                  <bond atomRefs2="a21 a26" order="S"/>
                  <bond atomRefs2="a22 a25" order="S"/>
                  <bond atomRefs2="a22 a23" order="S"/>
                  <bond atomRefs2="a22 a24" order="S"/>
                  <bond atomRefs2="a23 a25" order="S"/>
                  <bond atomRefs2="a23 a24" order="S"/>
                  <bond atomRefs2="a23 a36" order="S"/>
                  <bond atomRefs2="a24 a25" order="S"/>
                  <bond atomRefs2="a24 a35" order="S"/>
                  <bond atomRefs2="a26 a27" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a28 a41" order="S"/>
                  <bond atomRefs2="a29 a41" order="S"/>
                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a30 a41" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
               </bondArray>
               <formula concise="Cu32O11">
                  <atomArray count="32 11" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2209.465400000003</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/32Cu.11O">
                  <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/rA:43CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3OOO3OO1O3O1O4OO4/rB:;;;;;;;;;s10;s10s11;s10s11s12;;;;s6;;;;s20;;s22;s22s23;s22s23s24;s20s21;s20s21s26;;;s8;s8s30;;s2s3s9;s5s18;s7s24;s4s19s23;s5s7;s29;s16s18s19;s1;s1s28s29s30;s15s32;s2s12s15s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
