<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.4</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">18Apr17-6-g9f103f2a35 (build Jun 30 2017 19:19:18) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">MareNostrum4</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-08-03T18:37:38.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.074153507</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="2.47333949"
                        xFract="0.27146054"
                        y3="1.42798322"
                        yFract="0.27146054"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.9918778"
                        xFract="0.4381272"
                        y3="2.30471172"
                        yFract="0.4381272"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.02895456"
                        xFract="0.9381272"
                        y3="2.30471172"
                        yFract="0.4381272"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.51041618"
                        xFract="0.4381272"
                        y3="4.93489735"
                        yFract="0.9381272"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.54749293"
                        xFract="0.9381272"
                        y3="4.93489735"
                        yFract="0.9381272"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.02895462"
                        xFract="0.77146054"
                        y3="4.05816884"
                        yFract="0.77146054"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="3.99187786"
                        xFract="0.27146054"
                        y3="4.05816884"
                        yFract="0.77146054"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.51041624"
                        xFract="0.77146054"
                        y3="1.42798322"
                        yFract="0.27146054"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="2.47333949"
                        xFract="0.27146054"
                        y3="1.42798322"
                        yFract="0.27146054"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.95480108"
                        xFract="0.10479387"
                        y3="0.55125466"
                        yFract="0.10479387"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.47333946"
                        xFract="0.10479387"
                        y3="3.18144028"
                        yFract="0.60479387"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.51041621"
                        xFract="0.60479387"
                        y3="3.18144028"
                        yFract="0.60479387"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="3.99187783"
                        xFract="0.60479387"
                        y3="0.55125466"
                        yFract="0.10479387"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.51041624"
                        xFract="0.77146054"
                        y3="1.42798322"
                        yFract="0.27146054"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.9918778"
                        xFract="0.4381272"
                        y3="2.30471172"
                        yFract="0.4381272"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.99187786"
                        xFract="0.27146054"
                        y3="4.05816884"
                        yFract="0.77146054"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.02895462"
                        xFract="0.77146054"
                        y3="4.05816884"
                        yFract="0.77146054"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.02895456"
                        xFract="0.9381272"
                        y3="2.30471172"
                        yFract="0.4381272"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="5.51041618"
                        xFract="0.4381272"
                        y3="4.93489735"
                        yFract="0.9381272"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.54749293"
                        xFract="0.9381272"
                        y3="4.93489735"
                        yFract="0.9381272"
                        z3="5.09970348"
                        zFract="0.18110429"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.95480108"
                        xFract="0.10479387"
                        y3="0.55125466"
                        yFract="0.10479387"
                        z3="5.71964407"
                        zFract="0.20312006"/>
                  <atom elementType="O"
                        id="a22"
                        x3="3.9918778"
                        xFract="0.4381272"
                        y3="2.30471172"
                        yFract="0.4381272"
                        z3="3.23988146"
                        zFract="0.11505697"/>
                  <atom elementType="O"
                        id="a23"
                        x3="0.95480108"
                        xFract="0.10479387"
                        y3="0.55125466"
                        yFract="0.10479387"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="O"
                        id="a24"
                        x3="0.95480108"
                        xFract="0.10479387"
                        y3="0.55125466"
                        yFract="0.10479387"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a25"
                        x3="7.02895462"
                        xFract="0.77146054"
                        y3="4.05816884"
                        yFract="0.77146054"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="O"
                        id="a26"
                        x3="3.9918778"
                        xFract="0.4381272"
                        y3="2.30471172"
                        yFract="0.4381272"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="O"
                        id="a27"
                        x3="7.02895462"
                        xFract="0.77146054"
                        y3="4.05816884"
                        yFract="0.77146054"
                        z3="8.19940696"
                        zFract="0.29118316"/>
                  <atom elementType="O"
                        id="a28"
                        x3="3.9918778"
                        xFract="0.4381272"
                        y3="2.30471172"
                        yFract="0.4381272"
                        z3="10.67916985"
                        zFract="0.37924626"/>
                  <atom elementType="O"
                        id="a29"
                        x3="7.02895462"
                        xFract="0.77146054"
                        y3="4.05816884"
                        yFract="0.77146054"
                        z3="11.91905101"
                        zFract="0.4232778"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a1 a22" order="S"/>
                  <bond atomRefs2="a2 a28" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a4 a29" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a29" order="S"/>
                  <bond atomRefs2="a7 a28" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a28" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a11 a26" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a13 a26" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a15 a26" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a19 a25" order="S"/>
                  <bond atomRefs2="a20 a25" order="S"/>
               </bondArray>
               <formula concise="Cu20O9">
                  <atomArray count="20 9" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1414.9145999999998</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.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/rA:29CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O4OO1O4O4OO4O4/rB:;;;;;;;;;;;;;;;;;;;s10;s1s14s15s16;s9s10;s1;s17s18s19s20;s11s12s13s15;s6s12;s2s7s8s9;s3s4s5s6;/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">274.0000</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">20 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">9 9 1</array>
                  <array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="12">1 2 3 4 5 6 7 8 9 10 11 12</array>
                     <array dataType="xsd:double" dictRef="cc:eigen" size="2016">-21.5903 -21.4744 -21.4068 -21.2034 -21.1102 -20.9584 -20.8163 -19.9782 -19.9596 -8.7088 -8.7087 -8.6256 -8.5835 -8.5834 -8.4694 -8.4601 -8.4600 -8.3414 -8.3413 -8.1377 -7.8837 -7.7374 -7.3142 -7.1672 -7.0968 -7.0967 -7.0424 -7.0423 -6.7506 -6.7505 -6.3964 -6.3881 -6.3880 -6.1675 -6.1673 -6.1624 -5.7802 -5.5448 -5.2350 -4.8903 -4.7777 -4.7751 -4.7751 -4.6356 -4.6356 -4.5491 -4.5491 -4.5151 -4.5151 -4.4121 -4.4121 -4.3822 -4.2811 -4.2811 -4.1852 -4.1762 -4.1762 -4.0683 -4.0683 -4.0245 -3.9829 -3.9829 -3.9488 -3.9488 -3.9084 -3.9047 -3.8843 -3.8843 -3.8360 -3.8360 -3.8192 -3.7559 -3.7559 -3.7268 -3.7268 -3.6779 -3.6604 -3.6604 -3.6030 -3.6030 -3.6015 -3.5693 -3.5693 -3.5176 -3.5161 -3.5084 -3.5084 -3.4620 -3.4620 -3.4267 -3.4267 -3.4238 -3.4140 -3.3845 -3.3845 -3.3760 -3.3698 -3.3698 -3.3469 -3.3385 -3.3385 -3.3296 -3.3296 -3.3228 -3.3228 -3.3161 -3.2912 -3.2912 -3.2748 -3.2242 -3.2242 -3.2178 -3.1277 -3.1277 -3.0263 -3.0263 -2.9770 -2.9536 -2.9536 -2.9043 -2.7802 -2.6953 -2.5426 -2.5426 -2.4667 -2.4667 -2.4610 -2.3979 -2.3870 -2.3869 -2.2999 -2.2998 -2.2842 -2.0258 -1.9752 -1.9751 -1.8097 -1.3775 -0.7371 -0.2587 -0.2587 -0.1279 0.1591 0.4413 0.4413 0.7592 0.8797 0.8797 1.1887 1.1887 1.2680 1.2681 1.6195 2.3011 2.5772 2.8575 3.0012 3.0014 3.1274 3.2648 3.3464 3.3465 3.7169 3.7277 3.7278 4.2941 4.2942 4.3943 -21.5788 -21.4711 -21.3959 -21.1945 -21.1218 -20.9701 -20.8276 -19.9781 -19.9641 -8.7146 -8.6963 -8.6459 -8.5921 -8.5426 -8.4808 -8.4469 -8.4213 -8.3050 -8.2888 -8.1273 -7.8790 -7.7405 -7.3209 -7.2125 -7.1198 -7.1186 -7.0494 -7.0467 -6.7719 -6.7535 -6.6075 -6.4212 -6.3619 -6.2165 -6.1493 -6.0926 -5.7607 -5.5461 -5.1984 -4.8631 -4.7885 -4.7601 -4.7525 -4.6344 -4.6194 -4.5294 -4.5262 -4.4904 -4.4799 -4.4014 -4.3975 -4.3598 -4.2625 -4.2624 -4.1922 -4.1668 -4.1618 -4.0640 -4.0588 -4.0116 -3.9806 -3.9663 -3.9472 -3.9411 -3.9112 -3.9016 -3.8931 -3.8838 -3.8436 -3.8402 -3.8081 -3.7542 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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">-127.65092843</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-127.65092843</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-127.65092843</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.6033</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.3397873E-03</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">6.074153507</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="2.47334"
                        xFract="0.27146093"
                        y3="1.42798"
                        yFract="0.27145993"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="3.99188"
                        xFract="0.43812773"
                        y3="2.30471"
                        yFract="0.43812687"
                        z3="12.57011"
                        zFract="0.44639867"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.02895"
                        xFract="0.9635022"
                        y3="2.03774"
                        yFract="0.3873757"
                        z3="12.28291"
                        zFract="0.43619942"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.27921"
                        xFract="0.3873757"
                        y3="5.06838"
                        yFract="0.96350234"
                        z3="12.28291"
                        zFract="0.43619942"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.7787"
                        xFract="0.96350371"
                        y3="5.06838"
                        yFract="0.96350234"
                        z3="12.28291"
                        zFract="0.43619942"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.02895"
                        xFract="0.77145967"
                        y3="4.05817"
                        yFract="0.77146076"
                        z3="10.2754"
                        zFract="0.3649073"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="3.99188"
                        xFract="0.27007305"
                        y3="4.07277"
                        yFract="0.77423623"
                        z3="10.09163"
                        zFract="0.35838113"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.52306"
                        xFract="0.77423628"
                        y3="1.42068"
                        yFract="0.27007219"
                        z3="10.09163"
                        zFract="0.35838113"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="2.46069"
                        xFract="0.2700722"
                        y3="1.42068"
                        yFract="0.27007219"
                        z3="10.09163"
                        zFract="0.35838113"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="0.9548"
                        xFract="0.10479414"
                        y3="0.55125"
                        yFract="0.10479298"
                        z3="7.56669"
                        zFract="0.26871367"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.46781"
                        xFract="0.10358036"
                        y3="3.18463"
                        yFract="0.60540024"
                        z3="7.65977"
                        zFract="0.27201919"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.51595"
                        xFract="0.60540173"
                        y3="3.18463"
                        yFract="0.60540024"
                        z3="7.65977"
                        zFract="0.27201919"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="3.99188"
                        xFract="0.60540109"
                        y3="0.54487"
                        yFract="0.10358014"
                        z3="7.65977"
                        zFract="0.27201919"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.51042"
                        xFract="0.77146146"
                        y3="1.42798"
                        yFract="0.27145993"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="3.99188"
                        xFract="0.43812773"
                        y3="2.30471"
                        yFract="0.43812687"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.99188"
                        xFract="0.27146078"
                        y3="4.05817"
                        yFract="0.77146076"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.02895"
                        xFract="0.77145967"
                        y3="4.05817"
                        yFract="0.77146076"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.02895"
                        xFract="0.93812661"
                        y3="2.30471"
                        yFract="0.43812687"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="5.51042"
                        xFract="0.43812758"
                        y3="4.9349"
                        yFract="0.9381277"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.54749"
                        xFract="0.93812646"
                        y3="4.9349"
                        yFract="0.9381277"
                        z3="5.0997"
                        zFract="0.18110417"/>
                  <atom elementType="O"
                        id="a21"
                        x3="0.9548"
                        xFract="0.10479414"
                        y3="0.55125"
                        yFract="0.10479298"
                        z3="5.71964"
                        zFract="0.20311992"/>
                  <atom elementType="O"
                        id="a22"
                        x3="3.99188"
                        xFract="0.43812773"
                        y3="2.30471"
                        yFract="0.43812687"
                        z3="3.23988"
                        zFract="0.11505692"/>
                  <atom elementType="O"
                        id="a23"
                        x3="0.9548"
                        xFract="0.10479414"
                        y3="0.55125"
                        yFract="0.10479298"
                        z3="9.40457"
                        zFract="0.33398177"/>
                  <atom elementType="O"
                        id="a24"
                        x3="0.9548"
                        xFract="0.10479414"
                        y3="0.55125"
                        yFract="0.10479298"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="O"
                        id="a25"
                        x3="7.02895"
                        xFract="0.77145967"
                        y3="4.05817"
                        yFract="0.77146076"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="O"
                        id="a26"
                        x3="3.99188"
                        xFract="0.43812773"
                        y3="2.30471"
                        yFract="0.43812687"
                        z3="6.98258"
                        zFract="0.24797034"/>
                  <atom elementType="O"
                        id="a27"
                        x3="7.02895"
                        xFract="0.77145967"
                        y3="4.05817"
                        yFract="0.77146076"
                        z3="8.36943"
                        zFract="0.29722114"/>
                  <atom elementType="O"
                        id="a28"
                        x3="3.99188"
                        xFract="0.43812773"
                        y3="2.30471"
                        yFract="0.43812687"
                        z3="10.66505"
                        zFract="0.37874483"/>
                  <atom elementType="O"
                        id="a29"
                        x3="7.02895"
                        xFract="0.77145967"
                        y3="4.05817"
                        yFract="0.77146076"
                        z3="12.1578"
                        zFract="0.43175642"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a22" order="S"/>
                  <bond atomRefs2="a1 a24" order="S"/>
                  <bond atomRefs2="a2 a28" order="S"/>
                  <bond atomRefs2="a3 a29" order="S"/>
                  <bond atomRefs2="a4 a29" order="S"/>
                  <bond atomRefs2="a5 a29" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a29" order="S"/>
                  <bond atomRefs2="a7 a28" order="S"/>
                  <bond atomRefs2="a8 a28" order="S"/>
                  <bond atomRefs2="a9 a23" order="S"/>
                  <bond atomRefs2="a9 a28" order="S"/>
                  <bond atomRefs2="a10 a21" order="S"/>
                  <bond atomRefs2="a10 a23" order="S"/>
                  <bond atomRefs2="a11 a26" order="S"/>
                  <bond atomRefs2="a12 a27" order="S"/>
                  <bond atomRefs2="a12 a26" order="S"/>
                  <bond atomRefs2="a13 a26" order="S"/>
                  <bond atomRefs2="a14 a22" order="S"/>
                  <bond atomRefs2="a15 a26" order="S"/>
                  <bond atomRefs2="a15 a22" order="S"/>
                  <bond atomRefs2="a16 a22" order="S"/>
                  <bond atomRefs2="a17 a25" order="S"/>
                  <bond atomRefs2="a18 a25" order="S"/>
                  <bond atomRefs2="a19 a25" order="S"/>
                  <bond atomRefs2="a20 a25" order="S"/>
               </bondArray>
               <formula concise="Cu20O9">
                  <atomArray count="20 9" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1414.9145999999998</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.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/rA:29CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO1O4OO1O4O4OO4O4/rB:;;;;;;;;;;;;;;;;;;;s10;s1s14s15s16;s9s10;s1;s17s18s19s20;s11s12s13s15;s6s12;s2s7s8s9;s3s4s5s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
