<?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">2022-08-04T00:46:54.000</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="2.53054978"
                        xFract="0.1383613"
                        y3="1.47171358"
                        yFract="0.27977371"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.64177998"
                        xFract="0.72169463"
                        y3="4.97862771"
                        yFract="0.94644037"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.60470329"
                        xFract="0.6383613"
                        y3="1.47171358"
                        yFract="0.27977371"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.1232416"
                        xFract="0.72169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.16031836"
                        xFract="0.97169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.64177998"
                        xFract="0.72169463"
                        y3="4.97862771"
                        yFract="0.94644037"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.67885673"
                        xFract="0.97169463"
                        y3="4.97862771"
                        yFract="0.94644037"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.16031842"
                        xFract="0.8883613"
                        y3="4.1018992"
                        yFract="0.77977371"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.12324167"
                        xFract="0.6383613"
                        y3="4.1018992"
                        yFract="0.77977371"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.64178004"
                        xFract="0.8883613"
                        y3="1.47171358"
                        yFract="0.27977371"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.60470329"
                        xFract="0.6383613"
                        y3="1.47171358"
                        yFract="0.27977371"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.08616494"
                        xFract="0.55502797"
                        y3="0.59498502"
                        yFract="0.11310704"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.60470332"
                        xFract="0.55502797"
                        y3="3.22517064"
                        yFract="0.61310704"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.64178007"
                        xFract="0.80502797"
                        y3="3.22517064"
                        yFract="0.61310704"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.1232417"
                        xFract="0.80502797"
                        y3="0.59498502"
                        yFract="0.11310704"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.64178004"
                        xFract="0.8883613"
                        y3="1.47171358"
                        yFract="0.27977371"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.1232416"
                        xFract="0.72169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.12324167"
                        xFract="0.6383613"
                        y3="4.1018992"
                        yFract="0.77977371"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.67885673"
                        xFract="0.97169463"
                        y3="4.97862771"
                        yFract="0.94644037"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.16031842"
                        xFract="0.8883613"
                        y3="4.1018992"
                        yFract="0.77977371"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.16031836"
                        xFract="0.97169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.04908819"
                        xFract="0.30502797"
                        y3="0.59498502"
                        yFract="0.11310704"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="1.01201144"
                        xFract="0.05502797"
                        y3="0.59498502"
                        yFract="0.11310704"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.53054981"
                        xFract="0.05502797"
                        y3="3.22517064"
                        yFract="0.61310704"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.56762657"
                        xFract="0.30502797"
                        y3="3.22517064"
                        yFract="0.61310704"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.04908816"
                        xFract="0.1383613"
                        y3="4.1018992"
                        yFract="0.77977371"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.56762654"
                        xFract="0.3883613"
                        y3="1.47171358"
                        yFract="0.27977371"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.0490881"
                        xFract="0.22169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.04908816"
                        xFract="0.1383613"
                        y3="4.1018992"
                        yFract="0.77977371"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.53054978"
                        xFract="0.1383613"
                        y3="1.47171358"
                        yFract="0.27977371"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.08616491"
                        xFract="0.3883613"
                        y3="4.1018992"
                        yFract="0.77977371"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.56762647"
                        xFract="0.22169463"
                        y3="4.97862771"
                        yFract="0.94644037"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.08616491"
                        xFract="0.3883613"
                        y3="4.1018992"
                        yFract="0.77977371"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.60470323"
                        xFract="0.47169463"
                        y3="4.97862771"
                        yFract="0.94644037"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.56762647"
                        xFract="0.22169463"
                        y3="4.97862771"
                        yFract="0.94644037"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="7.08616485"
                        xFract="0.47169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.60470323"
                        xFract="0.47169463"
                        y3="4.97862771"
                        yFract="0.94644037"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="4.0490881"
                        xFract="0.22169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.08616485"
                        xFract="0.47169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.56762654"
                        xFract="0.3883613"
                        y3="1.47171358"
                        yFract="0.27977371"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="O"
                        id="a41"
                        x3="10.1232416"
                        xFract="0.72169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="3.23988146"
                        zFract="0.11505697"/>
                  <atom elementType="O"
                        id="a42"
                        x3="7.08616491"
                        xFract="0.3883613"
                        y3="4.1018992"
                        yFract="0.77977371"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="O"
                        id="a43"
                        x3="4.0490881"
                        xFract="0.22169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="O"
                        id="a44"
                        x3="1.01201144"
                        xFract="0.05502797"
                        y3="0.59498502"
                        yFract="0.11310704"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a45"
                        x3="10.1232416"
                        xFract="0.72169463"
                        y3="2.34844208"
                        yFract="0.44644037"
                        z3="10.67916985"
                        zFract="0.37924626"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a44" order="S"/>
                  <bond atomRefs2="a3 a41" order="S"/>
                  <bond atomRefs2="a4 a45" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a10 a45" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a34 a42" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
               </bondArray>
               <formula concise="Cu40O5">
                  <atomArray count="40 5" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2621.8370000000004</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.5O">
                  <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/rA:45CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4O1O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s3s16s17s18;s33s34s35s36;s22s24s25s28;s1;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">470.0000</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 5</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">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
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0.003903 -0.002254 0.034559 -0.012262 0.007080 -0.018813 -0.372914 0.215302 -0.275231 -0.018777 0.010841 -0.007240 0.631396 0.455644 0.889274 -0.025808 0.014900 -0.905476 -1.382806 -0.953126 0.398168 0.017538 -0.010125 0.000846 -0.004043 0.000242 -0.007539 -0.006765 0.003906 0.005219 -0.002231 0.003380 -0.007539 -0.008933 0.005157 0.001619 0.000767 -0.011744 0.000540 0.022828 -0.013180 0.017651 0.010555 0.005208 0.000540 -0.003986 0.002301 -0.013645 -0.004802 0.002772 0.011660 0.001764 -0.004990 -0.003039 0.005203 0.000967 -0.003039 0.635398 -0.366847 0.318175 0.055425 -0.032000 1.427489 0.134028 1.674108 0.398168 -0.220120 -0.190636 -0.724495 -0.069293 0.040006 0.946623 0.055035 0.285948 -0.724495 0.000622 -0.011955 -0.003585 -0.000286 0.000165 -0.004649 -0.016083 0.009286 0.018308 0.010664 0.005439 -0.003585 0.006970 -0.003238 0.000550 0.101524 -0.058615 0.939803 -0.038667 0.022324 -0.942819 -0.078902 -0.774627 0.889274 0.006289 -0.004417 0.000550 0.055547 -0.032070 0.939127 0.022682 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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">-160.80967108</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-160.79458995</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-160.80213051</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-2.2626</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1554694E-04</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="2.53055"
                        xFract="0.13836149"
                        y3="1.47171"
                        yFract="0.27977303"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.64178"
                        xFract="0.72169452"
                        y3="4.97863"
                        yFract="0.94644081"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="8.6047"
                        xFract="0.6383612"
                        y3="1.47171"
                        yFract="0.27977303"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.74302"
                        xFract="0.78971833"
                        y3="1.99061"
                        yFract="0.37841626"
                        z3="10.81257"
                        zFract="0.38398366"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.21987"
                        xFract="0.99022747"
                        y3="2.06163"
                        yFract="0.39191721"
                        z3="10.66447"
                        zFract="0.37872423"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="11.51407"
                        xFract="0.70767792"
                        y3="5.05236"
                        yFract="0.96045693"
                        z3="10.65369"
                        zFract="0.3783414"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="14.95702"
                        xFract="0.99022757"
                        y3="5.07046"
                        yFract="0.96389775"
                        z3="10.66447"
                        zFract="0.37872423"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="13.26043"
                        xFract="0.899349"
                        y3="4.0441"
                        yFract="0.76878604"
                        z3="9.09369"
                        zFract="0.32294157"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="10.06986"
                        xFract="0.62102409"
                        y3="4.37424"
                        yFract="0.83154587"
                        z3="8.75228"
                        zFract="0.31081718"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.73683"
                        xFract="0.89879331"
                        y3="1.41684"
                        yFract="0.26934221"
                        z3="8.60715"
                        zFract="0.30566322"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="8.34216"
                        xFract="0.62102437"
                        y3="1.38177"
                        yFract="0.26267538"
                        z3="8.75228"
                        zFract="0.31081718"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.10526"
                        xFract="0.55712376"
                        y3="0.58396"
                        yFract="0.11101118"
                        z3="6.81007"
                        zFract="0.24184404"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="8.53581"
                        xFract="0.54746643"
                        y3="3.26495"
                        yFract="0.62066912"
                        z3="6.9082"
                        zFract="0.2453289"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="11.78509"
                        xFract="0.81037316"
                        y3="3.36092"
                        yFract="0.63891308"
                        z3="6.95509"
                        zFract="0.24699409"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="10.07733"
                        xFract="0.81037282"
                        y3="0.4030"
                        yFract="0.07661056"
                        z3="6.95509"
                        zFract="0.24699409"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.64178"
                        xFract="0.88836147"
                        y3="1.47171"
                        yFract="0.27977303"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="10.12324"
                        xFract="0.7216946"
                        y3="2.34844"
                        yFract="0.44643997"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="10.12324"
                        xFract="0.63836112"
                        y3="4.1019"
                        yFract="0.77977386"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="14.67886"
                        xFract="0.97169479"
                        y3="4.97863"
                        yFract="0.94644081"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="13.16032"
                        xFract="0.88836139"
                        y3="4.1019"
                        yFract="0.77977386"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.16032"
                        xFract="0.97169486"
                        y3="2.34844"
                        yFract="0.44643997"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="4.04682"
                        xFract="0.31969597"
                        y3="0.28242"
                        yFract="0.05368823"
                        z3="7.00244"
                        zFract="0.24867562"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="0.95639"
                        xFract="0.04892317"
                        y3="0.6271"
                        yFract="0.11921212"
                        z3="6.75843"
                        zFract="0.24001016"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="2.28832"
                        xFract="0.02844222"
                        y3="3.36502"
                        yFract="0.63969249"
                        z3="7.00215"
                        zFract="0.24866532"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.83719"
                        xFract="0.31969653"
                        y3="3.38342"
                        yFract="0.64319035"
                        z3="7.00244"
                        zFract="0.24867562"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="4.03198"
                        xFract="0.12417062"
                        y3="4.37086"
                        yFract="0.83090333"
                        z3="8.66592"
                        zFract="0.3077503"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.56763"
                        xFract="0.38836176"
                        y3="1.47171"
                        yFract="0.27977303"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="4.04909"
                        xFract="0.22169489"
                        y3="2.34844"
                        yFract="0.44643997"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.04909"
                        xFract="0.13836141"
                        y3="4.1019"
                        yFract="0.77977386"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="2.28907"
                        xFract="0.12417068"
                        y3="1.35205"
                        yFract="0.25702559"
                        z3="8.66592"
                        zFract="0.3077503"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.08616"
                        xFract="0.38836086"
                        y3="4.1019"
                        yFract="0.77977386"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.56763"
                        xFract="0.22169481"
                        y3="4.97863"
                        yFract="0.94644081"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="7.18882"
                        xFract="0.39962823"
                        y3="4.04263"
                        yFract="0.7685066"
                        z3="8.93762"
                        zFract="0.31739911"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="5.68415"
                        xFract="0.46913593"
                        y3="-0.02608"
                        yFract="-0.00495782"
                        z3="10.73769"
                        zFract="0.38132447"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.45392"
                        xFract="0.20921463"
                        y3="5.04428"
                        yFract="0.95892091"
                        z3="10.6185"
                        zFract="0.37709171"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="6.92301"
                        xFract="0.46913538"
                        y3="2.1197"
                        yFract="0.40295635"
                        z3="10.73769"
                        zFract="0.38132447"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="8.6047"
                        xFract="0.47169426"
                        y3="4.97863"
                        yFract="0.94644081"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.6100"
                        xFract="0.17350265"
                        y3="2.60195"
                        yFract="0.49463239"
                        z3="10.33043"
                        zFract="0.36686156"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.08616"
                        xFract="0.47169433"
                        y3="2.34844"
                        yFract="0.44643997"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="5.64131"
                        xFract="0.39644852"
                        y3="1.42917"
                        yFract="0.27168615"
                        z3="8.73183"
                        zFract="0.31009095"/>
                  <atom elementType="O"
                        id="a41"
                        x3="10.12324"
                        xFract="0.7216946"
                        y3="2.34844"
                        yFract="0.44643997"
                        z3="3.23988"
                        zFract="0.11505692"/>
                  <atom elementType="O"
                        id="a42"
                        x3="7.15822"
                        xFract="0.3962696"
                        y3="4.0603"
                        yFract="0.77186567"
                        z3="10.91935"
                        zFract="0.38777571"/>
                  <atom elementType="O"
                        id="a43"
                        x3="4.12828"
                        xFract="0.23038634"
                        y3="2.30272"
                        yFract="0.43774857"
                        z3="7.06606"
                        zFract="0.25093494"/>
                  <atom elementType="O"
                        id="a44"
                        x3="1.01201"
                        xFract="0.05502762"
                        y3="0.59499"
                        yFract="0.11310799"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a45"
                        x3="9.96297"
                        xFract="0.70410431"
                        y3="2.44097"
                        yFract="0.46402999"
                        z3="9.12137"
                        zFract="0.32392457"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a44" order="S"/>
                  <bond atomRefs2="a2 a14" order="S"/>
                  <bond atomRefs2="a3 a41" order="S"/>
                  <bond atomRefs2="a4 a10" order="S"/>
                  <bond atomRefs2="a4 a5" order="S"/>
                  <bond atomRefs2="a4 a45" order="S"/>
                  <bond atomRefs2="a5 a10" order="S"/>
                  <bond atomRefs2="a5 a8" order="S"/>
                  <bond atomRefs2="a6 a8" order="S"/>
                  <bond atomRefs2="a6 a9" order="S"/>
                  <bond atomRefs2="a7 a8" order="S"/>
                  <bond atomRefs2="a8 a14" order="S"/>
                  <bond atomRefs2="a9 a14" order="S"/>
                  <bond atomRefs2="a9 a13" order="S"/>
                  <bond atomRefs2="a9 a45" order="S"/>
                  <bond atomRefs2="a10 a15" order="S"/>
                  <bond atomRefs2="a10 a14" order="S"/>
                  <bond atomRefs2="a10 a45" order="S"/>
                  <bond atomRefs2="a11 a15" order="S"/>
                  <bond atomRefs2="a11 a13" order="S"/>
                  <bond atomRefs2="a11 a36" order="S"/>
                  <bond atomRefs2="a11 a12" order="S"/>
                  <bond atomRefs2="a11 a45" order="S"/>
                  <bond atomRefs2="a12 a40" order="S"/>
                  <bond atomRefs2="a12 a39" order="S"/>
                  <bond atomRefs2="a13 a17" order="S"/>
                  <bond atomRefs2="a13 a33" order="S"/>
                  <bond atomRefs2="a13 a39" order="S"/>
                  <bond atomRefs2="a13 a37" order="S"/>
                  <bond atomRefs2="a14 a17" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a15 a17" order="S"/>
                  <bond atomRefs2="a16 a41" order="S"/>
                  <bond atomRefs2="a17 a41" order="S"/>
                  <bond atomRefs2="a18 a41" order="S"/>
                  <bond atomRefs2="a22 a30" order="S"/>
                  <bond atomRefs2="a22 a40" order="S"/>
                  <bond atomRefs2="a22 a43" order="S"/>
                  <bond atomRefs2="a23 a30" order="S"/>
                  <bond atomRefs2="a24 a26" order="S"/>
                  <bond atomRefs2="a24 a30" order="S"/>
                  <bond atomRefs2="a24 a43" order="S"/>
                  <bond atomRefs2="a25 a26" order="S"/>
                  <bond atomRefs2="a25 a40" order="S"/>
                  <bond atomRefs2="a25 a39" order="S"/>
                  <bond atomRefs2="a25 a32" order="S"/>
                  <bond atomRefs2="a25 a33" order="S"/>
                  <bond atomRefs2="a25 a43" order="S"/>
                  <bond atomRefs2="a26 a35" order="S"/>
                  <bond atomRefs2="a26 a38" order="S"/>
                  <bond atomRefs2="a28 a43" order="S"/>
                  <bond atomRefs2="a30 a38" order="S"/>
                  <bond atomRefs2="a33 a36" order="S"/>
                  <bond atomRefs2="a33 a35" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a34 a40" order="S"/>
                  <bond atomRefs2="a34 a36" order="S"/>
                  <bond atomRefs2="a35 a42" order="S"/>
                  <bond atomRefs2="a36 a40" order="S"/>
                  <bond atomRefs2="a36 a42" order="S"/>
               </bondArray>
               <formula concise="Cu40O5">
                  <atomArray count="40 5" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">2621.8370000000004</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/40Cu.5O">
                  <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/rA:45CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O3O4O1O4/rB:;;;s4;;;s5s6s7;s6;s4s5;;s11;s9s11;s2s8s9s10;s10s11;;s13s14s15;;;;s14;;;;;s24s25;;;;s22s23s24;;s25;s13s25;;s26s33;s11s33s34;s13;s26s30;s12s13s25;s12s22s25s34s36;s3s16s17s18;s33s35s36;s22s24s25s28;s1;s4s9s10s11;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
