<?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">2022-08-03T23:08:23.000</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">8.59015027</scalar>
<scalar id="sc3" title="c" units="nonsi:angstrom">24.592691884</scalar>
<scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
<scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
<scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
</crystal>
<atomArray>
<atom elementType="Cu" id="a1" x3="0.68979594" xFract="0.05678124" y3="2.07514279" yFract="0.24157235" z3="3.5185384" zFract="0.14307252"/>
<atom elementType="Cu" id="a2" x3="5.24541107" xFract="0.43178124" y3="8.51775549" yFract="0.99157235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="Cu" id="a3" x3="3.72687269" xFract="0.30678124" y3="6.37021792" yFract="0.74157235" z3="6.5556151" zFract="0.26656761"/>
<atom elementType="Cu" id="a4" x3="8.28248782" xFract="0.68178124" y3="8.51775549" yFract="0.99157235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="Cu" id="a5" x3="9.8010262" xFract="0.80678124" y3="6.37021792" yFract="0.74157235" z3="3.5185384" zFract="0.14307252"/>
<atom elementType="Cu" id="a6" x3="11.31956457" xFract="0.93178124" y3="8.51775549" yFract="0.99157235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="Cu" id="a7" x3="8.28248782" xFract="0.68178124" y3="8.51775549" yFract="0.99157235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="Cu" id="a8" x3="0.68979594" xFract="0.05678124" y3="6.37021792" yFract="0.74157235" z3="6.5556151" zFract="0.26656761"/>
<atom elementType="Cu" id="a9" x3="6.76394944" xFract="0.55678124" y3="6.37021792" yFract="0.74157235" z3="9.5926918" zFract="0.3900627"/>
<atom elementType="Cu" id="a10" x3="6.76394944" xFract="0.55678124" y3="2.07514279" yFract="0.24157235" z3="3.5185384" zFract="0.14307252"/>
<atom elementType="Cu" id="a11" x3="9.8010262" xFract="0.80678124" y3="2.07514279" yFract="0.24157235" z3="9.5926918" zFract="0.3900627"/>
<atom elementType="Cu" id="a12" x3="8.28248782" xFract="0.68178124" y3="4.22268036" yFract="0.49157235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="Cu" id="a13" x3="11.31956457" xFract="0.93178124" y3="4.22268036" yFract="0.49157235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="Cu" id="a14" x3="6.76394944" xFract="0.55678124" y3="2.07514279" yFract="0.24157235" z3="9.5926918" zFract="0.3900627"/>
<atom elementType="Cu" id="a15" x3="0.68979594" xFract="0.05678124" y3="2.07514279" yFract="0.24157235" z3="6.5556151" zFract="0.26656761"/>
<atom elementType="Cu" id="a16" x3="8.28248782" xFract="0.68178124" y3="4.22268036" yFract="0.49157235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="Cu" id="a17" x3="11.31956457" xFract="0.93178124" y3="4.22268036" yFract="0.49157235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="Cu" id="a18" x3="9.8010262" xFract="0.80678124" y3="2.07514279" yFract="0.24157235" z3="3.5185384" zFract="0.14307252"/>
<atom elementType="Cu" id="a19" x3="8.28248782" xFract="0.68178124" y3="4.22268036" yFract="0.49157235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="Cu" id="a20" x3="11.31956457" xFract="0.93178124" y3="4.22268036" yFract="0.49157235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="Cu" id="a21" x3="9.8010262" xFract="0.80678124" y3="2.07514279" yFract="0.24157235" z3="6.5556151" zFract="0.26656761"/>
<atom elementType="Cu" id="a22" x3="11.31956457" xFract="0.93178124" y3="8.51775549" yFract="0.99157235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="Cu" id="a23" x3="8.28248782" xFract="0.68178124" y3="8.51775549" yFract="0.99157235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="Cu" id="a24" x3="9.8010262" xFract="0.80678124" y3="6.37021792" yFract="0.74157235" z3="9.5926918" zFract="0.3900627"/>
<atom elementType="Cu" id="a25" x3="2.20833431" xFract="0.18178124" y3="8.51775549" yFract="0.99157235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="Cu" id="a26" x3="6.76394944" xFract="0.55678124" y3="6.37021792" yFract="0.74157235" z3="3.5185384" zFract="0.14307252"/>
<atom elementType="Cu" id="a27" x3="3.72687269" xFract="0.30678124" y3="6.37021792" yFract="0.74157235" z3="3.5185384" zFract="0.14307252"/>
<atom elementType="Cu" id="a28" x3="2.20833431" xFract="0.18178124" y3="8.51775549" yFract="0.99157235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="Cu" id="a29" x3="2.20833431" xFract="0.18178124" y3="4.22268036" yFract="0.49157235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="Cu" id="a30" x3="5.24541107" xFract="0.43178124" y3="4.22268036" yFract="0.49157235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="Cu" id="a31" x3="3.72687269" xFract="0.30678124" y3="2.07514279" yFract="0.24157235" z3="3.5185384" zFract="0.14307252"/>
<atom elementType="Cu" id="a32" x3="2.20833431" xFract="0.18178124" y3="4.22268036" yFract="0.49157235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="Cu" id="a33" x3="5.24541107" xFract="0.43178124" y3="4.22268036" yFract="0.49157235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="Cu" id="a34" x3="3.72687269" xFract="0.30678124" y3="2.07514279" yFract="0.24157235" z3="6.5556151" zFract="0.26656761"/>
<atom elementType="Cu" id="a35" x3="5.24541107" xFract="0.43178124" y3="8.51775549" yFract="0.99157235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="Cu" id="a36" x3="5.24541107" xFract="0.43178124" y3="4.22268036" yFract="0.49157235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="Cu" id="a37" x3="6.76394944" xFract="0.55678124" y3="2.07514279" yFract="0.24157235" z3="6.5556151" zFract="0.26656761"/>
<atom elementType="Cu" id="a38" x3="2.20833431" xFract="0.18178124" y3="4.22268036" yFract="0.49157235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="Cu" id="a39" x3="9.8010262" xFract="0.80678124" y3="6.37021792" yFract="0.74157235" z3="6.5556151" zFract="0.26656761"/>
<atom elementType="Cu" id="a40" x3="11.31956457" xFract="0.93178124" y3="8.51775549" yFract="0.99157235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="Cu" id="a41" x3="0.68979594" xFract="0.05678124" y3="6.37021792" yFract="0.74157235" z3="3.5185384" zFract="0.14307252"/>
<atom elementType="Cu" id="a42" x3="3.72687269" xFract="0.30678124" y3="6.37021792" yFract="0.74157235" z3="9.5926918" zFract="0.3900627"/>
<atom elementType="Cu" id="a43" x3="2.20833431" xFract="0.18178124" y3="8.51775549" yFract="0.99157235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="Cu" id="a44" x3="5.24541107" xFract="0.43178124" y3="8.51775549" yFract="0.99157235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="Cu" id="a45" x3="0.68979594" xFract="0.05678124" y3="6.37021792" yFract="0.74157235" z3="9.5926918" zFract="0.3900627"/>
<atom elementType="Cu" id="a46" x3="6.76394944" xFract="0.55678124" y3="6.37021792" yFract="0.74157235" z3="6.5556151" zFract="0.26656761"/>
<atom elementType="Cu" id="a47" x3="3.72687269" xFract="0.30678124" y3="2.07514279" yFract="0.24157235" z3="9.5926918" zFract="0.3900627"/>
<atom elementType="Cu" id="a48" x3="0.68979594" xFract="0.05678124" y3="2.07514279" yFract="0.24157235" z3="9.5926918" zFract="0.3900627"/>
<atom elementType="O" id="a49" x3="9.8010262" xFract="0.80678124" y3="5.29644914" yFract="0.61657235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="O" id="a50" x3="6.76394944" xFract="0.55678124" y3="5.29644914" yFract="0.61657235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="O" id="a51" x3="9.8010262" xFract="0.80678124" y3="7.44398671" yFract="0.86657235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="O" id="a52" x3="6.76394944" xFract="0.55678124" y3="7.44398671" yFract="0.86657235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="O" id="a53" x3="0.68979594" xFract="0.05678124" y3="5.29644914" yFract="0.61657235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="O" id="a54" x3="9.8010262" xFract="0.80678124" y3="1.001374" yFract="0.11657235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="O" id="a55" x3="3.72687269" xFract="0.30678124" y3="3.14891157" yFract="0.36657235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="O" id="a56" x3="0.68979594" xFract="0.05678124" y3="1.001374" yFract="0.11657235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="O" id="a57" x3="0.68979594" xFract="0.05678124" y3="3.14891157" yFract="0.36657235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="O" id="a58" x3="3.72687269" xFract="0.30678124" y3="1.001374" yFract="0.11657235" z3="5.03707687" zFract="0.20482007"/>
<atom elementType="O" id="a59" x3="3.72687269" xFract="0.30678124" y3="3.14891157" yFract="0.36657235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="O" id="a60" x3="3.72687269" xFract="0.30678124" y3="7.44398671" yFract="0.86657235" z3="8.07415357" zFract="0.32831516"/>
<atom elementType="O" id="a61" x3="0.68979594" xFract="0.05678124" y3="5.29644914" yFract="0.61657235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="O" id="a62" x3="3.72687269" xFract="0.30678124" y3="7.44398671" yFract="0.86657235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="O" id="a63" x3="9.8010262" xFract="0.80678124" y3="7.44398671" yFract="0.86657235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="O" id="a64" x3="6.76394944" xFract="0.55678124" y3="1.001374" yFract="0.11657235" z3="1.99999993" zFract="0.08132497"/>
<atom elementType="O" id="a65" x3="6.76394944" xFract="0.55678124" y3="3.14891157" yFract="0.36657235" z3="5.03707687" zFract="0.20482007"/>
</atomArray>
<bondArray>
<bond atomRefs2="a1 a56" order="S"/>
<bond atomRefs2="a1 a57" order="S"/>
<bond atomRefs2="a2 a62" order="S"/>
<bond atomRefs2="a3 a60" order="S"/>
<bond atomRefs2="a4 a63" order="S"/>
<bond atomRefs2="a5 a63" order="S"/>
<bond atomRefs2="a5 a49" order="S"/>
<bond atomRefs2="a7 a52" order="S"/>
<bond atomRefs2="a8 a53" order="S"/>
<bond atomRefs2="a10 a64" order="S"/>
<bond atomRefs2="a10 a65" order="S"/>
<bond atomRefs2="a15 a57" order="S"/>
<bond atomRefs2="a16 a65" order="S"/>
<bond atomRefs2="a16 a49" order="S"/>
<bond atomRefs2="a17 a49" order="S"/>
<bond atomRefs2="a18 a54" order="S"/>
<bond atomRefs2="a19 a50" order="S"/>
<bond atomRefs2="a21 a54" order="S"/>
<bond atomRefs2="a22 a51" order="S"/>
<bond atomRefs2="a23 a51" order="S"/>
<bond atomRefs2="a24 a51" order="S"/>
<bond atomRefs2="a25 a62" order="S"/>
<bond atomRefs2="a26 a50" order="S"/>
<bond atomRefs2="a26 a52" order="S"/>
<bond atomRefs2="a27 a62" order="S"/>
<bond atomRefs2="a29 a57" order="S"/>
<bond atomRefs2="a30 a65" order="S"/>
<bond atomRefs2="a31 a59" order="S"/>
<bond atomRefs2="a31 a58" order="S"/>
<bond atomRefs2="a32 a61" order="S"/>
<bond atomRefs2="a32 a59" order="S"/>
<bond atomRefs2="a33 a59" order="S"/>
<bond atomRefs2="a33 a50" order="S"/>
<bond atomRefs2="a34 a55" order="S"/>
<bond atomRefs2="a34 a58" order="S"/>
<bond atomRefs2="a35 a52" order="S"/>
<bond atomRefs2="a36 a55" order="S"/>
<bond atomRefs2="a37 a65" order="S"/>
<bond atomRefs2="a38 a53" order="S"/>
<bond atomRefs2="a38 a55" order="S"/>
<bond atomRefs2="a39 a51" order="S"/>
<bond atomRefs2="a39 a49" order="S"/>
<bond atomRefs2="a40 a63" order="S"/>
<bond atomRefs2="a41 a61" order="S"/>
<bond atomRefs2="a42 a60" order="S"/>
<bond atomRefs2="a43 a60" order="S"/>
<bond atomRefs2="a44 a60" order="S"/>
<bond atomRefs2="a45 a53" order="S"/>
<bond atomRefs2="a46 a52" order="S"/>
<bond atomRefs2="a47 a55" order="S"/>
</bondArray>
<formula concise="Cu48O17">
<atomArray count="48 17" elementType="Cu O"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">3322.197800000001</scalar>
</property>
</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">630.0000</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">48 17</array>
</module>
<module cmlx:templateRef="kpoints" dictRef="cc:userDefinedModule" id="vasp.kpoints" 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:xi="http://www.w3.org/2001/XInclude" xmlns:xsd="http://www.w3.org/2001/XMLSchema">
<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 4 1</array>
<array dataType="xsd:double" dictRef="v:shiftS" size="3">0.0 0.0 0.0</array>
</module>
</module>
</module>
<module dictRef="cc:calculation" id="calculation">
<module dictRef="cc:userDefinedModule" id="otherComponents">
<module cmlx:templateRef="eigenvalues">
<list id="spin">
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</module>
</module>
</module>
<module dictRef="cc:finalization" id="finalization">
<propertyList>
<property dictRef="cc:energies">
<module cmlx:templateRef="energies">
<array dataType="xsd:double" dictRef="cc:freeEnergy" size="1" units="nonsi:electronvolt">-270.89706983</array>
<array dataType="xsd:double" dictRef="v:noEntropyEnergy" size="1" units="nonsi:electronvolt">-270.88730216</array>
<array dataType="xsd:double" dictRef="cc:e0" size="1" units="nonsi:electronvolt">-270.89218600</array>
<array dataType="xsd:double" dictRef="v:efermi" size="1" units="nonsi:electronvolt">-2.5703</array>
<array dataType="xsd:double" dictRef="cc:deltaEnergy" size="1" units="nonsi:electronvolt">0.7662103E-02</array>
</module>
</property>
</propertyList>
<molecule id="final">
<crystal>
<scalar id="sc1" title="a" units="nonsi:angstrom">12.148307014</scalar>
<scalar id="sc2" title="b" units="nonsi:angstrom">8.59015027</scalar>
<scalar id="sc3" title="c" units="nonsi:angstrom">24.592691884</scalar>
<scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
<scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
<scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
</crystal>
<atomArray>
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<atom elementType="Cu" id="a2" x3="5.24541" xFract="0.43178115" y3="8.51776" yFract="0.99157288" z3="2.0000" zFract="0.08132497"/>
<atom elementType="Cu" id="a3" x3="3.42443" xFract="0.28188537" y3="5.92929" yFract="0.69024287" z3="5.93822" zFract="0.24146279"/>
<atom elementType="Cu" id="a4" x3="8.28249" xFract="0.68178142" y3="8.51776" yFract="0.99157288" z3="2.0000" zFract="0.08132497"/>
<atom elementType="Cu" id="a5" x3="9.80103" xFract="0.80678155" y3="6.37022" yFract="0.74157259" z3="3.51854" zFract="0.14307259"/>
<atom elementType="Cu" id="a6" x3="11.71081" xFract="0.963987" y3="8.10009" yFract="0.94295091" z3="4.79251" zFract="0.19487537"/>
<atom elementType="Cu" id="a7" x3="8.44778" xFract="0.69538743" y3="-0.10728" yFract="-0.01248872" z3="4.93815" zFract="0.20079746"/>
<atom elementType="Cu" id="a8" x3="0.89412" xFract="0.07360038" y3="6.26018" yFract="0.72876257" z3="5.94335" zFract="0.24167139"/>
<atom elementType="Cu" id="a9" x3="7.00764" xFract="0.57684087" y3="6.46152" yFract="0.75220104" z3="8.05691" zFract="0.32761399"/>
<atom elementType="Cu" id="a10" x3="6.76395" xFract="0.55678129" y3="2.07514" yFract="0.24157203" z3="3.51854" zFract="0.14307259"/>
<atom elementType="Cu" id="a11" x3="9.2686" xFract="0.76295405" y3="2.86014" yFract="0.33295576" z3="8.25325" zFract="0.33559767"/>
<atom elementType="Cu" id="a12" x3="7.60994" xFract="0.6264198" y3="4.29389" yFract="0.49986204" z3="7.2247" zFract="0.29377427"/>
<atom elementType="Cu" id="a13" x3="11.2736" xFract="0.92799762" y3="3.93471" yFract="0.45804903" z3="7.41263" zFract="0.30141597"/>
<atom elementType="Cu" id="a14" x3="6.86723" xFract="0.56528288" y3="2.29532" yFract="0.26720371" z3="8.50791" zFract="0.34595277"/>
<atom elementType="Cu" id="a15" x3="0.75783" xFract="0.06238153" y3="1.34684" yFract="0.15678888" z3="6.01057" zFract="0.24440472"/>
<atom elementType="Cu" id="a16" x3="8.12449" xFract="0.66877549" y3="4.16973" yFract="0.48540827" z3="4.72198" zFract="0.19200745"/>
<atom elementType="Cu" id="a17" x3="11.20798" xFract="0.92259604" y3="4.00347" yFract="0.46605355" z3="4.7744" zFract="0.19413898"/>
<atom elementType="Cu" id="a18" x3="9.80103" xFract="0.80678155" y3="2.07514" yFract="0.24157203" z3="3.51854" zFract="0.14307259"/>
<atom elementType="Cu" id="a19" x3="8.28249" xFract="0.68178142" y3="4.22268" yFract="0.49157231" z3="2.0000" zFract="0.08132497"/>
<atom elementType="Cu" id="a20" x3="11.31956" xFract="0.93178086" y3="4.22268" yFract="0.49157231" z3="2.0000" zFract="0.08132497"/>
<atom elementType="Cu" id="a21" x3="10.16535" xFract="0.83677092" y3="2.01315" yFract="0.23435562" z3="6.22707" zFract="0.25320815"/>
<atom elementType="Cu" id="a22" x3="11.25549" xFract="0.92650688" y3="0.29894" yFract="0.03480032" z3="7.67166" zFract="0.31194877"/>
<atom elementType="Cu" id="a23" x3="8.68149" xFract="0.7146255" y3="0.37833" yFract="0.0440423" z3="7.63529" zFract="0.31046988"/>
<atom elementType="Cu" id="a24" x3="9.40426" xFract="0.77412104" y3="5.31087" yFract="0.61825112" z3="8.47147" zFract="0.34447103"/>
<atom elementType="Cu" id="a25" x3="2.20833" xFract="0.18178088" y3="8.51776" yFract="0.99157288" z3="2.0000" zFract="0.08132497"/>
<atom elementType="Cu" id="a26" x3="6.76395" xFract="0.55678129" y3="6.37022" yFract="0.74157259" z3="3.51854" zFract="0.14307259"/>
<atom elementType="Cu" id="a27" x3="3.72687" xFract="0.30678102" y3="6.37022" yFract="0.74157259" z3="3.51854" zFract="0.14307259"/>
<atom elementType="Cu" id="a28" x3="2.11659" xFract="0.17422922" y3="8.08144" yFract="0.94077982" z3="4.80773" zFract="0.19549426"/>
<atom elementType="Cu" id="a29" x3="2.30311" xFract="0.1895828" y3="4.28357" yFract="0.49866066" z3="4.5638" zFract="0.18557546"/>
<atom elementType="Cu" id="a30" x3="4.8785" xFract="0.40157859" y3="4.3684" yFract="0.50853592" z3="4.60371" zFract="0.1871983"/>
<atom elementType="Cu" id="a31" x3="3.72687" xFract="0.30678102" y3="2.07514" yFract="0.24157203" z3="3.51854" zFract="0.14307259"/>
<atom elementType="Cu" id="a32" x3="2.20833" xFract="0.18178088" y3="4.22268" yFract="0.49157231" z3="2.0000" zFract="0.08132497"/>
<atom elementType="Cu" id="a33" x3="5.24541" xFract="0.43178115" y3="4.22268" yFract="0.49157231" z3="2.0000" zFract="0.08132497"/>
<atom elementType="Cu" id="a34" x3="3.66733" xFract="0.30187992" y3="2.36485" yFract="0.27529786" z3="6.15128" zFract="0.25012634"/>
<atom elementType="Cu" id="a35" x3="5.21321" xFract="0.42913058" y3="0.0827" yFract="0.00962731" z3="4.95313" zFract="0.20140658"/>
<atom elementType="Cu" id="a36" x3="5.14622" xFract="0.42361623" y3="4.74741" yFract="0.55265739" z3="7.67448" zFract="0.31206344"/>
<atom elementType="Cu" id="a37" x3="7.44886" xFract="0.61316034" y3="1.99622" yFract="0.23238476" z3="6.18798" zFract="0.25161865"/>
<atom elementType="Cu" id="a38" x3="2.28484" xFract="0.18807888" y3="4.15931" yFract="0.48419525" z3="7.62631" zFract="0.31010473"/>
<atom elementType="Cu" id="a39" x3="9.81316" xFract="0.80778005" y3="6.45477" yFract="0.75141526" z3="6.33732" zFract="0.25769119"/>
<atom elementType="Cu" id="a40" x3="11.31956" xFract="0.93178086" y3="8.51776" yFract="0.99157288" z3="2.0000" zFract="0.08132497"/>
<atom elementType="Cu" id="a41" x3="0.6898" xFract="0.05678157" y3="6.37022" yFract="0.74157259" z3="3.51854" zFract="0.14307259"/>
<atom elementType="Cu" id="a42" x3="4.36586" xFract="0.35938012" y3="7.25361" yFract="0.84441014" z3="7.88052" zFract="0.32044154"/>
<atom elementType="Cu" id="a43" x3="1.61111" xFract="0.13262013" y3="-0.08563" yFract="-0.00996839" z3="7.88417" zFract="0.32058996"/>
<atom elementType="Cu" id="a44" x3="6.23082" xFract="0.51289616" y3="0.15926" yFract="0.01853984" z3="7.43633" zFract="0.30237967"/>
<atom elementType="Cu" id="a45" x3="-0.27188" xFract="-0.02238007" y3="6.64188" yFract="0.77319718" z3="8.13716" zFract="0.33087716"/>
<atom elementType="Cu" id="a46" x3="5.79691" xFract="0.47717842" y3="6.37836" yFract="0.74252019" z3="6.0229" zFract="0.24490609"/>
<atom elementType="Cu" id="a47" x3="3.76542" xFract="0.3099543" y3="1.40182" yFract="0.16318923" z3="8.46575" zFract="0.34423844"/>
<atom elementType="Cu" id="a48" x3="0.52808" xFract="0.04346943" y3="2.11523" yFract="0.246239" z3="8.24003" zFract="0.33506011"/>
<atom elementType="O" id="a49" x3="9.71984" xFract="0.80009832" y3="5.19229" yFract="0.60444693" z3="4.97108" zFract="0.20213647"/>
<atom elementType="O" id="a50" x3="6.76395" xFract="0.55678129" y3="5.29645" yFract="0.61657245" z3="2.0000" zFract="0.08132497"/>
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<bond atomRefs2="a19 a50" order="S"/>
<bond atomRefs2="a21 a23" order="S"/>
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<bond atomRefs2="a22 a23" order="S"/>
<bond atomRefs2="a23 a37" order="S"/>
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<bond atomRefs2="a24 a39" order="S"/>
<bond atomRefs2="a25 a62" order="S"/>
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<bond atomRefs2="a31 a34" order="S"/>
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<bond atomRefs2="a31 a59" order="S"/>
<bond atomRefs2="a32 a59" order="S"/>
<bond atomRefs2="a32 a61" order="S"/>
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<bond atomRefs2="a34 a47" order="S"/>
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<bond atomRefs2="a36 a42" order="S"/>
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<bond atomRefs2="a37 a44" order="S"/>
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<bond atomRefs2="a39 a51" order="S"/>
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<bond atomRefs2="a40 a63" order="S"/>
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<bond atomRefs2="a45 a53" order="S"/>
<bond atomRefs2="a46 a52" order="S"/>
<bond atomRefs2="a47 a55" order="S"/>
</bondArray>
<formula concise="Cu48O17">
<atomArray count="48 17" elementType="Cu O"/>
</formula>
<property dictRef="cml:molmass">
<scalar units="unit:dalton">3322.197800000001</scalar>
</property>
</molecule>
</module>
</module>
</module>
</module>
