<?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">2022-08-03T18:42:59.000</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="2.56570395"
                        xFract="0.28159797"
                        y3="1.48130986"
                        yFract="0.28159797"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.08424235"
                        xFract="0.44826464"
                        y3="2.35803842"
                        yFract="0.44826464"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.12131911"
                        xFract="0.94826464"
                        y3="2.35803842"
                        yFract="0.44826464"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.60278073"
                        xFract="0.44826464"
                        y3="4.98822404"
                        yFract="0.94826464"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.63985748"
                        xFract="0.94826464"
                        y3="4.98822404"
                        yFract="0.94826464"
                        z3="11.91905101"
                        zFract="0.4232778"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.12131908"
                        xFract="0.78159797"
                        y3="4.11149549"
                        yFract="0.78159797"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="4.08424232"
                        xFract="0.28159797"
                        y3="4.11149549"
                        yFract="0.78159797"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.6027807"
                        xFract="0.78159797"
                        y3="1.48130986"
                        yFract="0.28159797"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="2.56570395"
                        xFract="0.28159797"
                        y3="1.48130986"
                        yFract="0.28159797"
                        z3="9.4392884"
                        zFract="0.33521471"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="1.04716563"
                        xFract="0.11493131"
                        y3="0.60458136"
                        yFract="0.11493131"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.56570401"
                        xFract="0.11493131"
                        y3="3.23476698"
                        yFract="0.61493131"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.60278076"
                        xFract="0.61493131"
                        y3="3.23476698"
                        yFract="0.61493131"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="4.08424238"
                        xFract="0.61493131"
                        y3="0.60458136"
                        yFract="0.11493131"
                        z3="6.95952551"
                        zFract="0.24715161"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.6027807"
                        xFract="0.78159797"
                        y3="1.48130986"
                        yFract="0.28159797"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.08424235"
                        xFract="0.44826464"
                        y3="2.35803842"
                        yFract="0.44826464"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.08424232"
                        xFract="0.28159797"
                        y3="4.11149549"
                        yFract="0.78159797"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.12131908"
                        xFract="0.78159797"
                        y3="4.11149549"
                        yFract="0.78159797"
                        z3="2.00000001"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.12131911"
                        xFract="0.94826464"
                        y3="2.35803842"
                        yFract="0.44826464"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="5.60278073"
                        xFract="0.44826464"
                        y3="4.98822404"
                        yFract="0.94826464"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.63985748"
                        xFract="0.94826464"
                        y3="4.98822404"
                        yFract="0.94826464"
                        z3="4.4797629"
                        zFract="0.15908852"/>
                  <atom elementType="O"
                        id="a21"
                        x3="4.08424235"
                        xFract="0.44826464"
                        y3="2.35803842"
                        yFract="0.44826464"
                        z3="2.61994059"
                        zFract="0.09304119"/>
                  <atom elementType="O"
                        id="a22"
                        x3="7.12131908"
                        xFract="0.78159797"
                        y3="4.11149549"
                        yFract="0.78159797"
                        z3="3.85982204"
                        zFract="0.13707274"/>
                  <atom elementType="O"
                        id="a23"
                        x3="4.08424235"
                        xFract="0.44826464"
                        y3="2.35803842"
                        yFract="0.44826464"
                        z3="6.33958493"
                        zFract="0.22513584"/>
                  <atom elementType="O"
                        id="a24"
                        x3="7.12131908"
                        xFract="0.78159797"
                        y3="4.11149549"
                        yFract="0.78159797"
                        z3="7.57946638"
                        zFract="0.26916739"/>
                  <atom elementType="O"
                        id="a25"
                        x3="1.04716563"
                        xFract="0.11493131"
                        y3="0.60458136"
                        yFract="0.11493131"
                        z3="12.53899188"
                        zFract="0.44529358"/>
                  <atom elementType="O"
                        id="a26"
                        x3="4.08424235"
                        xFract="0.44826464"
                        y3="2.35803842"
                        yFract="0.44826464"
                        z3="10.05922899"
                        zFract="0.35723048"/>
                  <atom elementType="O"
                        id="a27"
                        x3="7.12131908"
                        xFract="0.78159797"
                        y3="4.11149549"
                        yFract="0.78159797"
                        z3="11.29911043"
                        zFract="0.40126203"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a21" order="S"/>
                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a3 a27" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a5 a27" order="S"/>
                  <bond atomRefs2="a6 a24" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a8 a26" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a23" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a16 a21" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
               </bondArray>
               <formula concise="Cu20O7">
                  <atomArray count="20 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1382.9158</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.7O">
                  <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/rA:27CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4OO0O4O4/rB:;;;;;;;;;;;;;;;;;;;s1s14s15s16;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">262.0000</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 7</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="1920">-22.0941 -21.6880 -21.5794 -21.4694 -21.3513 -20.5293 -20.1442 -9.3276 -9.3276 -9.0486 -8.7542 -8.7541 -8.7432 -8.2572 -8.2571 -8.1576 -7.8847 -7.8846 -7.7697 -7.5558 -7.5402 -7.5401 -7.2710 -6.9858 -6.9857 -6.7830 -6.6812 -6.6811 -6.3468 -6.1656 -5.6636 -5.1293 -5.1110 -5.1109 -5.0722 -4.9394 -4.9394 -4.8940 -4.8862 -4.8862 -4.8153 -4.8153 -4.7299 -4.7299 -4.6221 -4.4941 -4.4586 -4.4586 -4.4409 -4.4409 -4.3429 -4.3429 -4.3025 -4.2752 -4.2646 -4.2646 -4.2227 -4.2227 -4.1339 -4.1255 -4.1255 -4.0882 -4.0882 -4.0525 -4.0525 -3.9844 -3.9844 -3.9829 -3.9760 -3.8912 -3.8912 -3.8838 -3.8807 -3.8807 -3.8408 -3.8408 -3.8210 -3.8210 -3.7651 -3.7286 -3.7286 -3.7282 -3.7212 -3.7210 -3.6990 -3.6990 -3.6743 -3.6180 -3.6180 -3.5964 -3.5964 -3.5628 -3.5628 -3.5065 -3.5065 -3.4965 -3.4832 -3.4832 -3.4464 -3.4290 -3.4290 -3.3993 -3.3993 -3.3705 -3.3251 -3.3188 -3.3186 -3.3186 -3.2983 -3.2983 -3.2723 -3.2714 -3.2315 -3.2315 -3.1590 -3.0536 -2.9361 -2.9361 -2.8602 -2.8602 -2.7008 -2.7008 -2.6041 -2.6041 -2.5659 -2.5062 -2.4330 -2.3739 -2.3488 -2.3488 -2.0399 -1.2755 -1.0977 -1.0976 -0.5704 -0.3652 -0.3652 -0.0356 -0.0356 0.2994 0.7387 0.7387 0.8352 0.8353 1.1735 1.4592 2.1164 2.1384 2.1384 2.1898 2.3536 2.5114 2.5115 2.8965 3.1866 3.6321 3.6394 3.6395 4.0517 4.4045 -22.0820 -21.6903 -21.5829 -21.4702 -21.3529 -20.5357 -20.1439 -9.3197 -9.3029 -9.0388 -8.7451 -8.7403 -8.7249 -8.2799 -8.2658 -8.1363 -7.9323 -7.8747 -7.7838 -7.6505 -7.5632 -7.5452 -7.2021 -6.9834 -6.9641 -6.8895 -6.7091 -6.5841 -6.3204 -6.1317 -5.6204 -5.1278 -5.0991 -5.0937 -5.0544 -4.9479 -4.9347 -4.8786 -4.8673 -4.8582 -4.8127 -4.7971 -4.7158 -4.7101 -4.6123 -4.4921 -4.4633 -4.4546 -4.4335 -4.4258 -4.3432 -4.3370 -4.3052 -4.2862 -4.2688 -4.2657 -4.2175 -4.2099 -4.1497 -4.1353 -4.1332 -4.0958 -4.0850 -4.0649 -4.0615 -4.0116 -4.0023 -3.9836 -3.9696 -3.9124 -3.9016 -3.8900 -3.8866 -3.8618 -3.8462 -3.8323 -3.8219 -3.8163 -3.7985 -3.7715 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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">-111.26768096</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-111.26768096</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-111.26768096</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-1.8553</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.5366118E-04</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="2.5657"
                        xFract="0.28159731"
                        y3="1.48131"
                        yFract="0.281598"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.08424"
                        xFract="0.4482641"
                        y3="2.35804"
                        yFract="0.44826494"
                        z3="10.93642"
                        zFract="0.38838191"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="7.12132"
                        xFract="0.95697125"
                        y3="2.26644"
                        yFract="0.43085172"
                        z3="11.33733"
                        zFract="0.40261931"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="5.52345"
                        xFract="0.43085134"
                        y3="5.03402"
                        yFract="0.95697048"
                        z3="11.33733"
                        zFract="0.40261931"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.71918"
                        xFract="0.95697074"
                        y3="5.03402"
                        yFract="0.95697048"
                        z3="11.33733"
                        zFract="0.40261931"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="7.12132"
                        xFract="0.78159769"
                        y3="4.1115"
                        yFract="0.78159883"
                        z3="9.18088"
                        zFract="0.32603793"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="4.08424"
                        xFract="0.25279501"
                        y3="4.41452"
                        yFract="0.83920313"
                        z3="8.79105"
                        zFract="0.31219401"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.86521"
                        xFract="0.83920329"
                        y3="1.3298"
                        yFract="0.25279585"
                        z3="8.79105"
                        zFract="0.31219401"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="2.30328"
                        xFract="0.25279565"
                        y3="1.3298"
                        yFract="0.25279585"
                        z3="8.79105"
                        zFract="0.31219401"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="1.04717"
                        xFract="0.11493216"
                        y3="0.60458"
                        yFract="0.11493105"
                        z3="6.4561"
                        zFract="0.22927361"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="2.54197"
                        xFract="0.10972146"
                        y3="3.24847"
                        yFract="0.61753626"
                        z3="6.72293"
                        zFract="0.23874946"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="5.62652"
                        xFract="0.61753707"
                        y3="3.24847"
                        yFract="0.61753626"
                        z3="6.72293"
                        zFract="0.23874946"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="4.08424"
                        xFract="0.61753638"
                        y3="0.57717"
                        yFract="0.10972039"
                        z3="6.72293"
                        zFract="0.23874946"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="5.60278"
                        xFract="0.78159784"
                        y3="1.48131"
                        yFract="0.281598"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.08424"
                        xFract="0.4482641"
                        y3="2.35804"
                        yFract="0.44826494"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="4.08424"
                        xFract="0.28159716"
                        y3="4.1115"
                        yFract="0.78159883"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="7.12132"
                        xFract="0.78159769"
                        y3="4.1115"
                        yFract="0.78159883"
                        z3="2.0000"
                        zFract="0.07102542"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.12132"
                        xFract="0.94826464"
                        y3="2.35804"
                        yFract="0.44826494"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="5.60278"
                        xFract="0.4482649"
                        y3="4.98822"
                        yFract="0.94826387"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.63986"
                        xFract="0.94826544"
                        y3="4.98822"
                        yFract="0.94826387"
                        z3="4.47976"
                        zFract="0.15908842"/>
                  <atom elementType="O"
                        id="a21"
                        x3="4.08424"
                        xFract="0.4482641"
                        y3="2.35804"
                        yFract="0.44826494"
                        z3="2.61994"
                        zFract="0.09304117"/>
                  <atom elementType="O"
                        id="a22"
                        x3="7.12132"
                        xFract="0.78159769"
                        y3="4.1115"
                        yFract="0.78159883"
                        z3="3.85982"
                        zFract="0.13707267"/>
                  <atom elementType="O"
                        id="a23"
                        x3="4.08424"
                        xFract="0.4482641"
                        y3="2.35804"
                        yFract="0.44826494"
                        z3="6.28756"
                        zFract="0.22328829"/>
                  <atom elementType="O"
                        id="a24"
                        x3="7.12132"
                        xFract="0.78159769"
                        y3="4.1115"
                        yFract="0.78159883"
                        z3="7.33748"
                        zFract="0.2605738"/>
                  <atom elementType="O"
                        id="a25"
                        x3="1.04717"
                        xFract="0.11493216"
                        y3="0.60458"
                        yFract="0.11493105"
                        z3="12.08938"
                        zFract="0.42932664"/>
                  <atom elementType="O"
                        id="a26"
                        x3="4.08424"
                        xFract="0.4482641"
                        y3="2.35804"
                        yFract="0.44826494"
                        z3="9.07552"
                        zFract="0.32229631"/>
                  <atom elementType="O"
                        id="a27"
                        x3="7.12132"
                        xFract="0.78159769"
                        y3="4.1115"
                        yFract="0.78159883"
                        z3="11.02866"
                        zFract="0.3916576"/>
               </atomArray>
               <bondArray>
                  <bond atomRefs2="a1 a21" order="S"/>
                  <bond atomRefs2="a2 a26" order="S"/>
                  <bond atomRefs2="a3 a27" order="S"/>
                  <bond atomRefs2="a4 a27" order="S"/>
                  <bond atomRefs2="a5 a27" order="S"/>
                  <bond atomRefs2="a6 a27" order="S"/>
                  <bond atomRefs2="a6 a24" order="S"/>
                  <bond atomRefs2="a7 a26" order="S"/>
                  <bond atomRefs2="a8 a26" order="S"/>
                  <bond atomRefs2="a9 a26" order="S"/>
                  <bond atomRefs2="a11 a23" order="S"/>
                  <bond atomRefs2="a12 a23" order="S"/>
                  <bond atomRefs2="a12 a24" order="S"/>
                  <bond atomRefs2="a13 a23" order="S"/>
                  <bond atomRefs2="a14 a21" order="S"/>
                  <bond atomRefs2="a15 a21" order="S"/>
                  <bond atomRefs2="a15 a23" order="S"/>
                  <bond atomRefs2="a16 a21" order="S"/>
                  <bond atomRefs2="a17 a22" order="S"/>
                  <bond atomRefs2="a18 a22" order="S"/>
                  <bond atomRefs2="a19 a22" order="S"/>
                  <bond atomRefs2="a20 a22" order="S"/>
               </bondArray>
               <formula concise="Cu20O7">
                  <atomArray count="20 7" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">1382.9158</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/20Cu.7O">
                  <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/rA:27CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4OO0O4O4/rB:;;;;;;;;;;;;;;;;;;;s1s14s15s16;s17s18s19s20;s11s12s13s15;s6s12;;s2s7s8s9;s3s4s5s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
