<?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">5.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">05Feb16 (build Aug 31 2021 10:05:11) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">IFC91_ompi</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2023-02-13T18:03:42.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.0</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="12.093416"
                        xFract="0.48373664"
                        y3="12.45661275"
                        yFract="0.49826451"
                        z3="11.4469545"
                        zFract="0.45787818"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="12.0775965"
                        xFract="0.48310386"
                        y3="12.40269425"
                        yFract="0.49610777"
                        z3="14.0864985"
                        zFract="0.56345994"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="9.889634"
                        xFract="0.39558536"
                        y3="12.48018925"
                        yFract="0.49920757"
                        z3="12.72836425"
                        zFract="0.50913457"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.41827775"
                        xFract="0.45673111"
                        y3="14.55804525"
                        yFract="0.58232181"
                        z3="12.74461275"
                        zFract="0.50978451"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.87516775"
                        xFract="0.55500671"
                        y3="13.761181"
                        yFract="0.55044724"
                        z3="12.744656"
                        zFract="0.50978624"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="13.8910745"
                        xFract="0.55564298"
                        y3="11.18104025"
                        yFract="0.44724161"
                        z3="12.72920925"
                        zFract="0.50916837"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.40539175"
                        xFract="0.45621567"
                        y3="10.3322155"
                        yFract="0.41328862"
                        z3="12.79080775"
                        zFract="0.51163231"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.094475"
                        xFract="0.483779"
                        y3="12.4588495"
                        yFract="0.49835398"
                        z3="8.81723925"
                        zFract="0.35268957"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.88813025"
                        xFract="0.39552521"
                        y3="12.460586"
                        yFract="0.49842344"
                        z3="10.15263825"
                        zFract="0.40610553"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.414719"
                        xFract="0.45658876"
                        y3="14.561206"
                        yFract="0.58244824"
                        z3="10.155728"
                        zFract="0.40622912"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.87817975"
                        xFract="0.55512719"
                        y3="13.76049875"
                        yFract="0.55041995"
                        z3="10.1552355"
                        zFract="0.40620942"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.877386"
                        xFract="0.55509544"
                        y3="11.16207375"
                        yFract="0.44648295"
                        z3="10.15284925"
                        zFract="0.40611397"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.4114215"
                        xFract="0.45645686"
                        y3="10.36521375"
                        yFract="0.41460855"
                        z3="10.162573"
                        zFract="0.40650292"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="12.116966"
                        xFract="0.48467864"
                        y3="12.5219175"
                        yFract="0.5008767"
                        z3="16.54910125"
                        zFract="0.66196405"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.9035415"
                        xFract="0.39614166"
                        y3="12.4974905"
                        yFract="0.49989962"
                        z3="15.342828"
                        zFract="0.61371312"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.4244575"
                        xFract="0.4569783"
                        y3="14.577577"
                        yFract="0.58310308"
                        z3="15.34344075"
                        zFract="0.61373763"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="13.88253475"
                        xFract="0.55530139"
                        y3="13.78233875"
                        yFract="0.55129355"
                        z3="15.34353025"
                        zFract="0.61374121"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="13.8960505"
                        xFract="0.55584202"
                        y3="11.20594025"
                        yFract="0.44823761"
                        z3="15.343158"
                        zFract="0.61372632"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="11.40945625"
                        xFract="0.45637825"
                        y3="10.33099775"
                        yFract="0.41323991"
                        z3="15.48394875"
                        zFract="0.61935795"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="9.267253"
                        xFract="0.37069012"
                        y3="10.4332805"
                        yFract="0.41733122"
                        z3="14.03031425"
                        zFract="0.56121257"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.810247"
                        xFract="0.31240988"
                        y3="12.49570125"
                        yFract="0.49982805"
                        z3="13.965352"
                        zFract="0.55861408"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.24349225"
                        xFract="0.36973969"
                        y3="14.56410025"
                        yFract="0.58256401"
                        z3="14.05348825"
                        zFract="0.56213953"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="10.7784805"
                        xFract="0.43113922"
                        y3="16.55915625"
                        yFract="0.66236625"
                        z3="13.94231925"
                        zFract="0.55769277"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.188649"
                        xFract="0.52754596"
                        y3="15.83559675"
                        yFract="0.63342387"
                        z3="14.04641525"
                        zFract="0.56185661"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.5657885"
                        xFract="0.62263154"
                        y3="15.01079075"
                        yFract="0.60043163"
                        z3="13.94125825"
                        zFract="0.55765033"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="15.64208925"
                        xFract="0.62568357"
                        y3="12.49440775"
                        yFract="0.49977631"
                        z3="14.0509125"
                        zFract="0.5620365"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="15.5900235"
                        xFract="0.62360094"
                        y3="9.9787175"
                        yFract="0.3991487"
                        z3="13.96566825"
                        zFract="0.55862673"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="13.201382"
                        xFract="0.52805528"
                        y3="9.15807725"
                        yFract="0.36632309"
                        z3="14.0282005"
                        zFract="0.56112802"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="10.75887825"
                        xFract="0.43035513"
                        y3="8.32719875"
                        yFract="0.33308795"
                        z3="14.0530105"
                        zFract="0.56212042"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="9.2042065"
                        xFract="0.36816826"
                        y3="10.362435"
                        yFract="0.4144974"
                        z3="11.436113"
                        zFract="0.45744452"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.74222075"
                        xFract="0.30968883"
                        y3="12.473452"
                        yFract="0.49893808"
                        z3="11.4481245"
                        zFract="0.45792498"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="9.188381"
                        xFract="0.36753524"
                        y3="14.590921"
                        yFract="0.58363684"
                        z3="11.44464875"
                        zFract="0.45778595"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.76101725"
                        xFract="0.43044069"
                        y3="16.6120585"
                        yFract="0.66448234"
                        z3="11.45140725"
                        zFract="0.45805629"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="13.2063835"
                        xFract="0.52825534"
                        y3="15.884312"
                        yFract="0.63537248"
                        z3="11.44973225"
                        zFract="0.45798929"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="15.6120045"
                        xFract="0.62448018"
                        y3="15.03457"
                        yFract="0.6013828"
                        z3="11.44976675"
                        zFract="0.45799067"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.6954765"
                        xFract="0.62781906"
                        y3="12.471886"
                        yFract="0.49887544"
                        z3="11.44167125"
                        zFract="0.45766685"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="15.61377125"
                        xFract="0.62455085"
                        y3="9.90475475"
                        yFract="0.39619019"
                        z3="11.45042275"
                        zFract="0.45801691"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="13.19129925"
                        xFract="0.52765197"
                        y3="9.06040675"
                        yFract="0.36241627"
                        z3="11.433666"
                        zFract="0.45734664"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.751475"
                        xFract="0.430059"
                        y3="8.346273"
                        yFract="0.33385092"
                        z3="11.4976345"
                        zFract="0.45990538"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="12.092506"
                        xFract="0.48370024"
                        y3="12.45396925"
                        yFract="0.49815877"
                        z3="6.33920225"
                        zFract="0.25356809"/>
                  <atom elementType="Cu"
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                        y3="12.4507355"
                        yFract="0.49802942"
                        z3="7.518469"
                        zFract="0.30073876"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="11.41219475"
                        xFract="0.45648779"
                        y3="14.547886"
                        yFract="0.58191544"
                        z3="7.53961225"
                        zFract="0.30158449"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="13.871942"
                        xFract="0.55487768"
                        y3="13.7495815"
                        yFract="0.54998326"
                        z3="7.53836125"
                        zFract="0.30153445"/>
                  <atom elementType="Cu"
                        id="a44"
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                        yFract="0.44621508"
                        z3="7.518715"
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                  <atom elementType="Cu"
                        id="a45"
                        x3="11.40591675"
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                        yFract="0.41376626"
                        z3="7.50852275"
                        zFract="0.30034091"/>
                  <atom elementType="Cu"
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                        yFract="0.49763977"
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                        x3="9.24293825"
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                        y3="14.518409"
                        yFract="0.58073636"
                        z3="8.82619125"
                        zFract="0.35304765"/>
                  <atom elementType="Cu"
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                        x3="10.75119825"
                        xFract="0.43004793"
                        y3="16.53756975"
                        yFract="0.66150279"
                        z3="8.94411375"
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                  <atom elementType="Cu"
                        id="a50"
                        x3="13.17748725"
                        xFract="0.52709949"
                        y3="15.7941585"
                        yFract="0.63176634"
                        z3="8.84226925"
                        zFract="0.35369077"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="15.577389"
                        xFract="0.62309556"
                        y3="14.96722425"
                        yFract="0.59868897"
                        z3="8.9420385"
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                  <atom elementType="Cu"
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                        z3="8.823883"
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                  <bond atomRefs2="a46 a55" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
                  <bond atomRefs2="a49 a50" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
                  <bond atomRefs2="a56 a59" order="S"/>
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               </bondArray>
               <formula concise="C2H2Cu55O2">
                  <atomArray count="2 2 55 2" elementType="C H Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3551.050199999997</scalar>
               </property>
            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.2000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
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               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">627.0000</scalar>
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               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
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               <parameter dictRef="v:ismear">
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               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.10</scalar>
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               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">RP</scalar>
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               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">9</scalar>
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               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
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               <parameter dictRef="v:lhfcalc">
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               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
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                         size="4">PAW_PBE Cu 22Jun2005|PAW_PBE O 08Apr2002|PAW_PBE C 08Apr2002|PAW_PBE H 15Jun2001</array>
                  <array dictRef="cc:atomType" size="4">Cu O C H</array>
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                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="4">55 2 2 2</array>
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                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
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                          dataType="xsd:double"
                          dictRef="cc:force"
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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">-184.63231190</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-184.60507142</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-184.62323174</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.4741</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.4107825E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.0</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="12.09998"
                        xFract="0.4839992"
                        y3="12.46553"
                        yFract="0.4986212"
                        z3="11.44967"
                        zFract="0.4579868"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="12.08574"
                        xFract="0.4834296"
                        y3="12.42423"
                        yFract="0.4969692"
                        z3="14.09447"
                        zFract="0.5637788"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="9.90038"
                        xFract="0.3960152"
                        y3="12.49972"
                        yFract="0.4999888"
                        z3="12.73991"
                        zFract="0.5095964"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="11.4306"
                        xFract="0.457224"
                        y3="14.57721"
                        yFract="0.5830884"
                        z3="12.72086"
                        zFract="0.5088344"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.8837"
                        xFract="0.555348"
                        y3="13.77768"
                        yFract="0.5511072"
                        z3="12.72187"
                        zFract="0.5088748"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="13.89544"
                        xFract="0.5558176"
                        y3="11.19793"
                        yFract="0.4479172"
                        z3="12.73991"
                        zFract="0.5095964"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.4082"
                        xFract="0.456328"
                        y3="10.34712"
                        yFract="0.4138848"
                        z3="12.82706"
                        zFract="0.5130824"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.09355"
                        xFract="0.483742"
                        y3="12.44089"
                        yFract="0.4976356"
                        z3="8.81827"
                        zFract="0.3527308"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.89321"
                        xFract="0.3957284"
                        y3="12.46211"
                        yFract="0.4984844"
                        z3="10.16375"
                        zFract="0.40655"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.42257"
                        xFract="0.4569028"
                        y3="14.56012"
                        yFract="0.5824048"
                        z3="10.12981"
                        zFract="0.4051924"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.88091"
                        xFract="0.5552364"
                        y3="13.75854"
                        yFract="0.5503416"
                        z3="10.12977"
                        zFract="0.4051908"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="13.88229"
                        xFract="0.5552916"
                        y3="11.16232"
                        yFract="0.4464928"
                        z3="10.16281"
                        zFract="0.4065124"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="11.41623"
                        xFract="0.4566492"
                        y3="10.36295"
                        yFract="0.414518"
                        z3="10.19937"
                        zFract="0.4079748"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="12.1334"
                        xFract="0.485336"
                        y3="12.56899"
                        yFract="0.5027596"
                        z3="16.55056"
                        zFract="0.6620224"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="9.91716"
                        xFract="0.3966864"
                        y3="12.54142"
                        yFract="0.5016568"
                        z3="15.35768"
                        zFract="0.6143072"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="11.44425"
                        xFract="0.45777"
                        y3="14.61901"
                        yFract="0.5847604"
                        z3="15.31971"
                        zFract="0.6127884"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="13.89741"
                        xFract="0.5558964"
                        y3="13.82042"
                        yFract="0.5528168"
                        z3="15.31987"
                        zFract="0.6127948"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="13.90317"
                        xFract="0.5561268"
                        y3="11.23862"
                        yFract="0.4495448"
                        z3="15.35784"
                        zFract="0.6143136"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="11.40372"
                        xFract="0.4561488"
                        y3="10.35232"
                        yFract="0.4140928"
                        z3="15.5361"
                        zFract="0.621444"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="9.2771"
                        xFract="0.371084"
                        y3="10.46548"
                        yFract="0.4186192"
                        z3="14.0687"
                        zFract="0.562748"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.82197"
                        xFract="0.3128788"
                        y3="12.52377"
                        yFract="0.5009508"
                        z3="13.97986"
                        zFract="0.5591944"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.25823"
                        xFract="0.3703292"
                        y3="14.59313"
                        yFract="0.5837252"
                        z3="14.0410"
                        zFract="0.56164"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="10.79147"
                        xFract="0.4316588"
                        y3="16.58672"
                        yFract="0.6634688"
                        z3="13.89464"
                        zFract="0.5557856"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="13.20493"
                        xFract="0.5281972"
                        y3="15.86109"
                        yFract="0.6344436"
                        z3="14.00394"
                        zFract="0.5601576"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.58291"
                        xFract="0.6233164"
                        y3="15.02835"
                        yFract="0.601134"
                        z3="13.89508"
                        zFract="0.5558032"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="15.64822"
                        xFract="0.6259288"
                        y3="12.5109"
                        yFract="0.500436"
                        z3="14.04287"
                        zFract="0.5617148"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="15.58329"
                        xFract="0.6233316"
                        y3="9.99063"
                        yFract="0.3996252"
                        z3="13.98019"
                        zFract="0.5592076"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="13.19168"
                        xFract="0.5276672"
                        y3="9.18572"
                        yFract="0.3674288"
                        z3="14.0720"
                        zFract="0.56288"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="10.74934"
                        xFract="0.4299736"
                        y3="8.34457"
                        yFract="0.3337828"
                        z3="14.1009"
                        zFract="0.564036"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="9.20954"
                        xFract="0.3683816"
                        y3="10.37299"
                        yFract="0.4149196"
                        z3="11.47543"
                        zFract="0.4590172"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="7.75203"
                        xFract="0.3100812"
                        y3="12.49415"
                        yFract="0.499766"
                        z3="11.46401"
                        zFract="0.4585604"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="9.20144"
                        xFract="0.3680576"
                        y3="14.60582"
                        yFract="0.5842328"
                        z3="11.43254"
                        zFract="0.4573016"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="10.77757"
                        xFract="0.4311028"
                        y3="16.62508"
                        yFract="0.6650032"
                        z3="11.39987"
                        zFract="0.4559948"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="13.21639"
                        xFract="0.5286556"
                        y3="15.89323"
                        yFract="0.6357292"
                        z3="11.40654"
                        zFract="0.4562616"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="15.61729"
                        xFract="0.6246916"
                        y3="15.04758"
                        yFract="0.6019032"
                        z3="11.40053"
                        zFract="0.4560212"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.70147"
                        xFract="0.6280588"
                        y3="12.48932"
                        yFract="0.4995728"
                        z3="11.43331"
                        zFract="0.4573324"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="15.63331"
                        xFract="0.6253324"
                        y3="9.9335"
                        yFract="0.39734"
                        z3="11.4646"
                        zFract="0.458584"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="13.20723"
                        xFract="0.5282892"
                        y3="9.0714"
                        yFract="0.362856"
                        z3="11.47695"
                        zFract="0.459078"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="10.76438"
                        xFract="0.4305752"
                        y3="8.35362"
                        yFract="0.3341448"
                        z3="11.54901"
                        zFract="0.4619604"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="12.08182"
                        xFract="0.4832728"
                        y3="12.40628"
                        yFract="0.4962512"
                        z3="6.33868"
                        zFract="0.2535472"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="9.88432"
                        xFract="0.3953728"
                        y3="12.42128"
                        yFract="0.4968512"
                        z3="7.53002"
                        zFract="0.3012008"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="11.41045"
                        xFract="0.456418"
                        y3="14.5166"
                        yFract="0.580664"
                        z3="7.51227"
                        zFract="0.3004908"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="13.86737"
                        xFract="0.5546948"
                        y3="13.71713"
                        yFract="0.5486852"
                        z3="7.51116"
                        zFract="0.3004464"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="13.86692"
                        xFract="0.5546768"
                        y3="11.12365"
                        yFract="0.444946"
                        z3="7.52917"
                        zFract="0.3011668"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="11.40101"
                        xFract="0.4560404"
                        y3="10.31377"
                        yFract="0.4125508"
                        z3="7.54515"
                        zFract="0.301806"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="9.25716"
                        xFract="0.3702864"
                        y3="10.37111"
                        yFract="0.4148444"
                        z3="8.86485"
                        zFract="0.354594"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="7.80905"
                        xFract="0.312362"
                        y3="12.43487"
                        yFract="0.4973948"
                        z3="8.95208"
                        zFract="0.3580832"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="9.24727"
                        xFract="0.3698908"
                        y3="14.50695"
                        yFract="0.580278"
                        z3="8.81118"
                        zFract="0.3524472"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="10.75783"
                        xFract="0.4303132"
                        y3="16.52363"
                        yFract="0.6609452"
                        z3="8.89254"
                        zFract="0.3557016"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="13.17968"
                        xFract="0.5271872"
                        y3="15.77899"
                        yFract="0.6311596"
                        z3="8.7934"
                        zFract="0.351736"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="15.57541"
                        xFract="0.6230164"
                        y3="14.95456"
                        yFract="0.5981824"
                        z3="8.89481"
                        zFract="0.3557924"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="15.60787"
                        xFract="0.6243148"
                        y3="12.43502"
                        yFract="0.4974008"
                        z3="8.80952"
                        zFract="0.3523808"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="15.55364"
                        xFract="0.6221456"
                        y3="9.91349"
                        yFract="0.3965396"
                        z3="8.9534"
                        zFract="0.358136"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="13.1663"
                        xFract="0.526652"
                        y3="9.09747"
                        yFract="0.3638988"
                        z3="8.86464"
                        zFract="0.3545856"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="10.7654"
                        xFract="0.430616"
                        y3="8.3645"
                        yFract="0.33458"
                        z3="9.02198"
                        zFract="0.3608792"/>
                  <atom elementType="O"
                        id="a56"
                        x3="10.27383"
                        xFract="0.4109532"
                        y3="6.96809"
                        yFract="0.2787236"
                        z3="15.34903"
                        zFract="0.6139612"/>
                  <atom elementType="O"
                        id="a57"
                        x3="11.01401"
                        xFract="0.4405604"
                        y3="9.25276"
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                  <bond atomRefs2="a44 a52" order="S"/>
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                  <bond atomRefs2="a46 a55" order="S"/>
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               <formula concise="C2H2Cu55O2">
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               <property dictRef="cml:molmass">
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            </molecule>
         </module>
      </module>
   </module>
</module>
