<?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">2022-08-04T00:18:45.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.148307014</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.074153507141149</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.158932534</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.52452765"
                        xFract="0.13804294"
                        y3="1.46798171"
                        yFract="0.27906428"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.63575788"
                        xFract="0.72137627"
                        y3="4.97489589"
                        yFract="0.94573095"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.59868116"
                        xFract="0.63804294"
                        y3="1.46798171"
                        yFract="0.27906428"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.11721951"
                        xFract="0.72137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.15429626"
                        xFract="0.97137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.63575788"
                        xFract="0.72137627"
                        y3="4.97489589"
                        yFract="0.94573095"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.67283464"
                        xFract="0.97137627"
                        y3="4.97489589"
                        yFract="0.94573095"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.15429629"
                        xFract="0.88804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.11721954"
                        xFract="0.63804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.63575791"
                        xFract="0.88804294"
                        y3="1.46798171"
                        yFract="0.27906428"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.59868116"
                        xFract="0.63804294"
                        y3="1.46798171"
                        yFract="0.27906428"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.08014272"
                        xFract="0.5547096"
                        y3="0.59125321"
                        yFract="0.11239762"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.5986811"
                        xFract="0.5547096"
                        y3="3.22143883"
                        yFract="0.61239762"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.63575785"
                        xFract="0.8047096"
                        y3="3.22143883"
                        yFract="0.61239762"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.11721948"
                        xFract="0.8047096"
                        y3="0.59125321"
                        yFract="0.11239762"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.63575791"
                        xFract="0.88804294"
                        y3="1.46798171"
                        yFract="0.27906428"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.11721951"
                        xFract="0.72137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.11721954"
                        xFract="0.63804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.67283464"
                        xFract="0.97137627"
                        y3="4.97489589"
                        yFract="0.94573095"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.15429629"
                        xFract="0.88804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.15429626"
                        xFract="0.97137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.04306597"
                        xFract="0.3047096"
                        y3="0.59125321"
                        yFract="0.11239762"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.00598922"
                        xFract="0.0547096"
                        y3="0.59125321"
                        yFract="0.11239762"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.52452759"
                        xFract="0.0547096"
                        y3="3.22143883"
                        yFract="0.61239762"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.56160435"
                        xFract="0.3047096"
                        y3="3.22143883"
                        yFract="0.61239762"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.04306603"
                        xFract="0.13804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.56160441"
                        xFract="0.38804294"
                        y3="1.46798171"
                        yFract="0.27906428"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.043066"
                        xFract="0.22137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.04306603"
                        xFract="0.13804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.52452765"
                        xFract="0.13804294"
                        y3="1.46798171"
                        yFract="0.27906428"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.08014278"
                        xFract="0.38804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.56160438"
                        xFract="0.22137627"
                        y3="4.97489589"
                        yFract="0.94573095"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.08014278"
                        xFract="0.38804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.59868113"
                        xFract="0.47137627"
                        y3="4.97489589"
                        yFract="0.94573095"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.56160438"
                        xFract="0.22137627"
                        y3="4.97489589"
                        yFract="0.94573095"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="7.08014275"
                        xFract="0.47137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.59868113"
                        xFract="0.47137627"
                        y3="4.97489589"
                        yFract="0.94573095"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.043066"
                        xFract="0.22137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.08014275"
                        xFract="0.47137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.56160441"
                        xFract="0.38804294"
                        y3="1.46798171"
                        yFract="0.27906428"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="O"
                        id="a41"
                        x3="10.11721951"
                        xFract="0.72137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="O"
                        id="a42"
                        x3="10.11721951"
                        xFract="0.72137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="6.33958493"
                        zFract="0.22513584"/>
                  <atom elementType="O"
                        id="a43"
                        x3="13.15429629"
                        xFract="0.88804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="3.85982204"
                        zFract="0.13707274"/>
                  <atom elementType="O"
                        id="a44"
                        x3="7.08014278"
                        xFract="0.38804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="11.29911043"
                        zFract="0.40126203"/>
                  <atom elementType="O"
                        id="a45"
                        x3="1.00598922"
                        xFract="0.0547096"
                        y3="0.59125321"
                        yFract="0.11239762"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="O"
                        id="a46"
                        x3="7.08014278"
                        xFract="0.38804294"
                        y3="4.09816734"
                        yFract="0.77906428"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="O"
                        id="a47"
                        x3="4.043066"
                        xFract="0.22137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="6.33958493"
                        zFract="0.22513584"/>
                  <atom elementType="O"
                        id="a48"
                        x3="1.00598922"
                        xFract="0.0547096"
                        y3="0.59125321"
                        yFract="0.11239762"
                        z3="8.81934754"
                        zFract="0.31319893"/>
                  <atom elementType="O"
                        id="a49"
                        x3="10.11721951"
                        xFract="0.72137627"
                        y3="2.34471027"
                        yFract="0.44573095"
                        z3="10.05922899"
                        zFract="0.35723048"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a43" order="S"/>
                  <bond atomRefs2="a3 a41" order="S"/>
                  <bond atomRefs2="a4 a49" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a11 a49" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a46" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a20 a43" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a23 a48" order="S"/>
                  <bond atomRefs2="a24 a47" order="S"/>
                  <bond atomRefs2="a25 a46" order="S"/>
                  <bond atomRefs2="a25 a47" order="S"/>
                  <bond atomRefs2="a28 a47" order="S"/>
                  <bond atomRefs2="a30 a48" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a34 a44" order="S"/>
                  <bond atomRefs2="a35 a44" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
               </bondArray>
               <formula concise="Cu40O9">
                  <atomArray count="40 9" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2685.834600000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.9O">
                  <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/rA:49CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4O4O0O3O4OO4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s3s16s17s18;s13s14s15s17;s2s19s20s21;s33s34s35s36;;s13s25s33;s22s24s25s28;s23s30;s4s9s10s11;/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">494.0000</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">40 9</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">3 6 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">
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               </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">-187.29661138</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-187.29117360</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-187.29389249</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.9527</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4774169E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.148307014</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">6.074153507141149</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">28.158932534</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="2.52453"
                        xFract="0.13804321"
                        y3="1.46798"
                        yFract="0.27906395"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.63576"
                        xFract="0.72137625"
                        y3="4.9749"
                        yFract="0.94573173"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.59868"
                        xFract="0.63804293"
                        y3="1.46798"
                        yFract="0.27906395"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.63597"
                        xFract="0.77831153"
                        y3="2.04521"
                        yFract="0.38879575"
                        z3="10.78665"
                        zFract="0.38306317"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.08509"
                        xFract="0.95194758"
                        y3="2.63365"
                        yFract="0.50065858"
                        z3="10.76828"
                        zFract="0.3824108"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.80008"
                        xFract="0.73941113"
                        y3="4.88003"
                        yFract="0.92769688"
                        z3="10.65281"
                        zFract="0.37831015"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.3880"
                        xFract="0.95194741"
                        y3="4.89036"
                        yFract="0.92966062"
                        z3="10.76828"
                        zFract="0.3824108"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.0828"
                        xFract="0.88019569"
                        y3="4.13945"
                        yFract="0.78691214"
                        z3="8.72402"
                        zFract="0.30981359"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.27526"
                        xFract="0.63886567"
                        y3="4.35459"
                        yFract="0.8278104"
                        z3="8.63867"
                        zFract="0.30678258"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.49744"
                        xFract="0.87286188"
                        y3="1.54784"
                        yFract="0.29424539"
                        z3="8.51125"
                        zFract="0.30225755"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.45563"
                        xFract="0.63886512"
                        y3="1.20291"
                        yFract="0.22867397"
                        z3="8.63867"
                        zFract="0.30678258"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.1716"
                        xFract="0.56474748"
                        y3="0.53845"
                        yFract="0.1023597"
                        z3="6.35089"
                        zFract="0.22553731"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.68525"
                        xFract="0.56421086"
                        y3="3.17146"
                        yFract="0.60289661"
                        z3="6.55825"
                        zFract="0.23290123"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.79129"
                        xFract="0.80469146"
                        y3="3.49121"
                        yFract="0.6636813"
                        z3="6.64999"
                        zFract="0.23615917"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.96136"
                        xFract="0.80469186"
                        y3="0.32167"
                        yFract="0.06114968"
                        z3="6.64999"
                        zFract="0.23615917"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.63576"
                        xFract="0.88804319"
                        y3="1.46798"
                        yFract="0.27906395"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.11722"
                        xFract="0.72137632"
                        y3="2.34471"
                        yFract="0.4457309"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.11722"
                        xFract="0.63804285"
                        y3="4.09817"
                        yFract="0.77906479"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.67283"
                        xFract="0.97137569"
                        y3="4.9749"
                        yFract="0.94573173"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.1543"
                        xFract="0.88804312"
                        y3="4.09817"
                        yFract="0.77906479"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.1543"
                        xFract="0.97137659"
                        y3="2.34471"
                        yFract="0.4457309"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.09004"
                        xFract="0.30721487"
                        y3="0.6199"
                        yFract="0.11784339"
                        z3="6.62453"
                        zFract="0.23525501"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.99084"
                        xFract="0.05304688"
                        y3="0.6000"
                        yFract="0.11406039"
                        z3="6.17089"
                        zFract="0.21914503"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.14979"
                        xFract="0.0135801"
                        y3="3.4378"
                        yFract="0.65352802"
                        z3="6.64952"
                        zFract="0.23614247"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.56028"
                        xFract="0.30721441"
                        y3="3.16644"
                        yFract="0.60194231"
                        z3="6.62453"
                        zFract="0.23525501"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="3.53767"
                        xFract="0.09634083"
                        y3="4.10027"
                        yFract="0.779464"
                        z3="8.77811"
                        zFract="0.31173447"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.5616"
                        xFract="0.38804266"
                        y3="1.46798"
                        yFract="0.27906395"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.04307"
                        xFract="0.22137661"
                        y3="2.34471"
                        yFract="0.4457309"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.04307"
                        xFract="0.13804314"
                        y3="4.09817"
                        yFract="0.77906479"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.27001"
                        xFract="0.09634076"
                        y3="1.90462"
                        yFract="0.3620695"
                        z3="8.77811"
                        zFract="0.31173447"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.08014"
                        xFract="0.38804258"
                        y3="4.09817"
                        yFract="0.77906479"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.5616"
                        xFract="0.22137571"
                        y3="4.9749"
                        yFract="0.94573173"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="6.99305"
                        xFract="0.37848412"
                        y3="4.14845"
                        yFract="0.78862305"
                        z3="8.93335"
                        zFract="0.31724747"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="5.54797"
                        xFract="0.45380666"
                        y3="0.0606"
                        yFract="0.0115201"
                        z3="10.55255"
                        zFract="0.37474965"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.28529"
                        xFract="0.19104929"
                        y3="5.13443"
                        yFract="0.97605849"
                        z3="10.84626"
                        zFract="0.38518008"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="6.77362"
                        xFract="0.45380704"
                        y3="2.18348"
                        yFract="0.41508097"
                        z3="10.55255"
                        zFract="0.37474965"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.59868"
                        xFract="0.47137598"
                        y3="4.9749"
                        yFract="0.94573173"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.33065"
                        xFract="0.25294012"
                        y3="2.17867"
                        yFract="0.41416659"
                        z3="9.99484"
                        zFract="0.35494385"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.08014"
                        xFract="0.47137606"
                        y3="2.34471"
                        yFract="0.4457309"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.98898"
                        xFract="0.43494923"
                        y3="1.22124"
                        yFract="0.23215852"
                        z3="8.41836"
                        zFract="0.29895878"/>
                  <atom elementType="O"
                        id="a41"
                        x3="10.11722"
                        xFract="0.72137632"
                        y3="2.34471"
                        yFract="0.4457309"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="O"
                        id="a42"
                        x3="10.29918"
                        xFract="0.74134706"
                        y3="2.23966"
                        yFract="0.42576082"
                        z3="6.30772"
                        zFract="0.22400423"/>
                  <atom elementType="O"
                        id="a43"
                        x3="13.1543"
                        xFract="0.88804312"
                        y3="4.09817"
                        yFract="0.77906479"
                        z3="3.85982"
                        zFract="0.13707267"/>
                  <atom elementType="O"
                        id="a44"
                        x3="6.96665"
                        xFract="0.37558622"
                        y3="4.1637"
                        yFract="0.79152208"
                        z3="10.8053"
                        zFract="0.38372548"/>
                  <atom elementType="O"
                        id="a45"
                        x3="0.66505"
                        xFract="0.01729015"
                        y3="0.78809"
                        yFract="0.14981642"
                        z3="11.33166"
                        zFract="0.40241795"/>
                  <atom elementType="O"
                        id="a46"
                        x3="7.1338"
                        xFract="0.39393199"
                        y3="4.06719"
                        yFract="0.77317547"
                        z3="7.08476"
                        zFract="0.25159903"/>
                  <atom elementType="O"
                        id="a47"
                        x3="3.8570"
                        xFract="0.20095445"
                        y3="2.45214"
                        yFract="0.46615341"
                        z3="6.36195"
                        zFract="0.22593008"/>
                  <atom elementType="O"
                        id="a48"
                        x3="0.96157"
                        xFract="0.04983432"
                        y3="0.6169"
                        yFract="0.11727309"
                        z3="8.08862"
                        zFract="0.28724881"/>
                  <atom elementType="O"
                        id="a49"
                        x3="9.86552"
                        xFract="0.69375103"
                        y3="2.49003"
                        yFract="0.47335632"
                        z3="9.11158"
                        zFract="0.3235769"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a2 a43" order="S"/>
                  <bond atomRefs2="a3 a41" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a4 a49" order="S"/>
                  <bond atomRefs2="a5 a7" order="S"/>
                  <bond atomRefs2="a5 a6" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a6 a7" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a49" order="S"/>
                  <bond atomRefs2="a10 a49" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a40" order="S"/>
                  <bond atomRefs2="a11 a49" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a42" order="S"/>
                  <bond atomRefs2="a13 a46" order="S"/>
                  <bond atomRefs2="a14 a42" order="S"/>
                  <bond atomRefs2="a15 a42" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a17 a42" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a19 a43" order="S"/>
                  <bond atomRefs2="a20 a43" order="S"/>
                  <bond atomRefs2="a21 a43" order="S"/>
                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a22 a47" order="S"/>
                  <bond atomRefs2="a23 a48" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a47" order="S"/>
                  <bond atomRefs2="a25 a40" order="S"/>
                  <bond atomRefs2="a25 a46" order="S"/>
                  <bond atomRefs2="a25 a47" order="S"/>
                  <bond atomRefs2="a26 a30" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a28 a47" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a30 a48" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a44" order="S"/>
                  <bond atomRefs2="a33 a46" order="S"/>
                  <bond atomRefs2="a34 a38" order="S"/>
                  <bond atomRefs2="a34 a40" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a44" order="S"/>
                  <bond atomRefs2="a36 a38" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a44" order="S"/>
                  <bond atomRefs2="a38 a40" order="S"/>
               </bondArray>
               <formula concise="Cu40O9">
                  <atomArray count="40 9" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2685.834600000001</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.9O">
                  <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/rA:49CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4O3O0O3O4OO4/rB:;;;s4;s5;s5s6;s5s6s7;s6;s4;;;;s2s8s9;s11;;s13;;;;;;;;;s24;;;;s24s26;;;;;;s33s34;;s26s30s34s36;s12;s11s12s22s25s34s36s38;s3s16s17s18;s13s14s15s17;s2s19s20s21;s33s35s36;;s13s25s33;s22s24s25s28;s23s30;s4s9s10s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
