<?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">2022-10-03T11:25:01.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.900574292</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.277160001</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</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>
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                        id="a1"
                        x3="1.81676242"
                        xFract="0.16666667"
                        y3="1.284645"
                        yFract="0.1250"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.45028715"
                        xFract="0.5000"
                        y3="1.284645"
                        yFract="0.1250"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="9.08381187"
                        xFract="0.83333333"
                        y3="1.284645"
                        yFract="0.1250"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="1.81676242"
                        xFract="0.16666667"
                        y3="3.853935"
                        yFract="0.3750"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="5.45028715"
                        xFract="0.5000"
                        y3="3.853935"
                        yFract="0.3750"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.08381187"
                        xFract="0.83333333"
                        y3="3.853935"
                        yFract="0.3750"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="1.81676242"
                        xFract="0.16666667"
                        y3="6.423225"
                        yFract="0.6250"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.45028715"
                        xFract="0.5000"
                        y3="6.423225"
                        yFract="0.6250"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.08381187"
                        xFract="0.83333333"
                        y3="6.423225"
                        yFract="0.6250"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="1.81676242"
                        xFract="0.16666667"
                        y3="8.992515"
                        yFract="0.8750"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="5.45028715"
                        xFract="0.5000"
                        y3="8.992515"
                        yFract="0.8750"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="9.08381187"
                        xFract="0.83333333"
                        y3="8.992515"
                        yFract="0.8750"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="3.63352473"
                        xFract="0.33333333"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.26704956"
                        xFract="0.66666667"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.56929"
                        yFract="0.2500"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="3.63352473"
                        xFract="0.33333333"
                        y3="2.56929"
                        yFract="0.2500"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.26704956"
                        xFract="0.66666667"
                        y3="2.56929"
                        yFract="0.2500"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.13858"
                        yFract="0.5000"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.63352473"
                        xFract="0.33333333"
                        y3="5.13858"
                        yFract="0.5000"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.26704956"
                        xFract="0.66666667"
                        y3="5.13858"
                        yFract="0.5000"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="7.70787"
                        yFract="0.7500"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="3.63352473"
                        xFract="0.33333333"
                        y3="7.70787"
                        yFract="0.7500"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="7.26704956"
                        xFract="0.66666667"
                        y3="7.70787"
                        yFract="0.7500"
                        z3="1.284645"
                        zFract="0.06423225"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.81676242"
                        xFract="0.16666667"
                        y3="1.284645"
                        yFract="0.1250"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.45028715"
                        xFract="0.5000"
                        y3="1.284645"
                        yFract="0.1250"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.08381187"
                        xFract="0.83333333"
                        y3="1.284645"
                        yFract="0.1250"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="1.81676242"
                        xFract="0.16666667"
                        y3="3.853935"
                        yFract="0.3750"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="5.45028715"
                        xFract="0.5000"
                        y3="3.853935"
                        yFract="0.3750"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="9.08381187"
                        xFract="0.83333333"
                        y3="3.853935"
                        yFract="0.3750"
                        z3="2.56929"
                        zFract="0.1284645"/>
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                        id="a31"
                        x3="1.81676242"
                        xFract="0.16666667"
                        y3="6.423225"
                        yFract="0.6250"
                        z3="2.56929"
                        zFract="0.1284645"/>
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                        id="a32"
                        x3="5.45028715"
                        xFract="0.5000"
                        y3="6.423225"
                        yFract="0.6250"
                        z3="2.56929"
                        zFract="0.1284645"/>
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                        id="a33"
                        x3="9.08381187"
                        xFract="0.83333333"
                        y3="6.423225"
                        yFract="0.6250"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.81676242"
                        xFract="0.16666667"
                        y3="8.992515"
                        yFract="0.8750"
                        z3="2.56929"
                        zFract="0.1284645"/>
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                        id="a35"
                        x3="5.45028715"
                        xFract="0.5000"
                        y3="8.992515"
                        yFract="0.8750"
                        z3="2.56929"
                        zFract="0.1284645"/>
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                        id="a36"
                        x3="9.08381187"
                        xFract="0.83333333"
                        y3="8.992515"
                        yFract="0.8750"
                        z3="2.56929"
                        zFract="0.1284645"/>
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                        id="a37"
                        x3="0.00013364"
                        xFract="0.00001226"
                        y3="0.01985743"
                        yFract="0.00193219"
                        z3="3.8208958"
                        zFract="0.19104479"/>
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                        id="a38"
                        x3="3.61912779"
                        xFract="0.33201258"
                        y3="0.0018245"
                        yFract="0.00017753"
                        z3="3.8119864"
                        zFract="0.19059932"/>
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                        id="a39"
                        x3="7.28199447"
                        xFract="0.66803769"
                        y3="0.00078518"
                        yFract="0.0000764"
                        z3="3.8122788"
                        zFract="0.19061394"/>
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                        id="a40"
                        x3="0.0021594"
                        xFract="0.0001981"
                        y3="2.57807451"
                        yFract="0.25085476"
                        z3="3.823264"
                        zFract="0.1911632"/>
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                        id="a41"
                        x3="3.61980908"
                        xFract="0.33207508"
                        y3="2.56710878"
                        yFract="0.24978776"
                        z3="3.8351656"
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                        id="a42"
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                        id="a44"
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                        xFract="0.33208675"
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                        id="a45"
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                        xFract="0.66804648"
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                        id="a47"
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                        id="a51"
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                        z3="5.1796404"
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                        id="a53"
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                        z3="6.3042448"
                        zFract="0.31521224"/>
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                        id="a65"
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                  <bond atomRefs2="a78 a84" order="S"/>
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               <formula concise="C6H6Cu72">
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               <parameter dictRef="v:ispin">
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               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
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               <parameter dictRef="v:ediffg">
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               <parameter dictRef="v:potim">
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               <parameter dictRef="v:nupdown">
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               <parameter dictRef="v:sigma">
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               <parameter dictRef="v:ldipol">
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               <parameter dictRef="v:idipol">
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               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
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               <parameter dictRef="v:lexch">
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               <parameter dictRef="v:voskown">
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               <parameter dictRef="v:lhfcalc">
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               <parameter dictRef="v:lhfone">
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               <parameter dictRef="v:aexx">
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-0.002351 -0.000127 -0.000100 -0.000792 0.000245 -0.000304 -0.001000 -0.001942 -0.000401 -0.002612 -0.000274 0.001029 0.000483 0.012000 0.002190 0.011681 0.005967 0.006123 0.008890 0.007066 -0.005955 -0.003674 -0.010226 0.006485 -0.004314 -0.008952 0.011057 -0.000769 0.007281 0.005151 0.005008 -0.007614 -0.001158 -0.011692 0.004071 0.001530 0.000219 -0.003303 -0.012549 0.005651 -0.001296 -0.003255 -0.004335 0.011097 -0.015201 -0.003607 0.011156 -0.016131 0.003567</matrix>
               </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">-328.16831759</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-328.15021805</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-328.15926782</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.7084</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.6410488E-04</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">10.900574292</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">10.277160001</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">20.0</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="1.81676"
                        xFract="0.16666645"
                        y3="1.28465"
                        yFract="0.12500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="5.45029"
                        xFract="0.50000026"
                        y3="1.28465"
                        yFract="0.12500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="9.08381"
                        xFract="0.83333316"
                        y3="1.28465"
                        yFract="0.12500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="1.81676"
                        xFract="0.16666645"
                        y3="3.85394"
                        yFract="0.37500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="5.45029"
                        xFract="0.50000026"
                        y3="3.85394"
                        yFract="0.37500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="9.08381"
                        xFract="0.83333316"
                        y3="3.85394"
                        yFract="0.37500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="1.81676"
                        xFract="0.16666645"
                        y3="6.42323"
                        yFract="0.62500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="5.45029"
                        xFract="0.50000026"
                        y3="6.42323"
                        yFract="0.62500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="9.08381"
                        xFract="0.83333316"
                        y3="6.42323"
                        yFract="0.62500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="1.81676"
                        xFract="0.16666645"
                        y3="8.99252"
                        yFract="0.87500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="5.45029"
                        xFract="0.50000026"
                        y3="8.99252"
                        yFract="0.87500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="9.08381"
                        xFract="0.83333316"
                        y3="8.99252"
                        yFract="0.87500049"
                        z3="0.0000"
                        zFract="0.0000"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="3.63352"
                        xFract="0.3333329"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="7.26705"
                        xFract="0.66666671"
                        y3="0.0000"
                        yFract="0.0000"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="2.56929"
                        yFract="0.2500"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="3.63352"
                        xFract="0.3333329"
                        y3="2.56929"
                        yFract="0.2500"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="7.26705"
                        xFract="0.66666671"
                        y3="2.56929"
                        yFract="0.2500"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="5.13858"
                        yFract="0.5000"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.63352"
                        xFract="0.3333329"
                        y3="5.13858"
                        yFract="0.5000"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="7.26705"
                        xFract="0.66666671"
                        y3="5.13858"
                        yFract="0.5000"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="0.0000"
                        xFract="0.0000"
                        y3="7.70787"
                        yFract="0.7500"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="3.63352"
                        xFract="0.3333329"
                        y3="7.70787"
                        yFract="0.7500"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="7.26705"
                        xFract="0.66666671"
                        y3="7.70787"
                        yFract="0.7500"
                        z3="1.28465"
                        zFract="0.0642325"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="1.81676"
                        xFract="0.16666645"
                        y3="1.28465"
                        yFract="0.12500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="5.45029"
                        xFract="0.50000026"
                        y3="1.28465"
                        yFract="0.12500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="9.08381"
                        xFract="0.83333316"
                        y3="1.28465"
                        yFract="0.12500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="1.81676"
                        xFract="0.16666645"
                        y3="3.85394"
                        yFract="0.37500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="5.45029"
                        xFract="0.50000026"
                        y3="3.85394"
                        yFract="0.37500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="9.08381"
                        xFract="0.83333316"
                        y3="3.85394"
                        yFract="0.37500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="1.81676"
                        xFract="0.16666645"
                        y3="6.42323"
                        yFract="0.62500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.45029"
                        xFract="0.50000026"
                        y3="6.42323"
                        yFract="0.62500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="9.08381"
                        xFract="0.83333316"
                        y3="6.42323"
                        yFract="0.62500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="1.81676"
                        xFract="0.16666645"
                        y3="8.99252"
                        yFract="0.87500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="5.45029"
                        xFract="0.50000026"
                        y3="8.99252"
                        yFract="0.87500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="9.08381"
                        xFract="0.83333316"
                        y3="8.99252"
                        yFract="0.87500049"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="-0.00201"
                        xFract="-0.00018439"
                        y3="0.01417"
                        yFract="0.00137879"
                        z3="3.82385"
                        zFract="0.1911925"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.6201"
                        xFract="0.33210177"
                        y3="-0.00199"
                        yFract="-0.00019363"
                        z3="3.8125"
                        zFract="0.190625"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.28104"
                        xFract="0.66795013"
                        y3="-0.00325"
                        yFract="-0.00031624"
                        z3="3.81389"
                        zFract="0.1906945"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="-0.00159"
                        xFract="-0.00014586"
                        y3="2.57202"
                        yFract="0.25026564"
                        z3="3.82454"
                        zFract="0.191227"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="3.61722"
                        xFract="0.33183756"
                        y3="2.56313"
                        yFract="0.24940061"
                        z3="3.84222"
                        zFract="0.192111"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="7.28297"
                        xFract="0.66812718"
                        y3="2.5624"
                        yFract="0.24932958"
                        z3="3.84566"
                        zFract="0.192283"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="0.00007"
                        xFract="0.00000642"
                        y3="5.14122"
                        yFract="0.50025688"
                        z3="3.82504"
                        zFract="0.191252"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="3.61787"
                        xFract="0.33189719"
                        y3="5.14712"
                        yFract="0.50083097"
                        z3="3.85401"
                        zFract="0.1927005"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.28171"
                        xFract="0.66801159"
                        y3="5.14514"
                        yFract="0.50063831"
                        z3="3.85125"
                        zFract="0.1925625"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="-0.00045"
                        xFract="-0.00004128"
                        y3="7.70505"
                        yFract="0.74972561"
                        z3="3.8254"
                        zFract="0.19127"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.62186"
                        xFract="0.33226323"
                        y3="7.71323"
                        yFract="0.75052154"
                        z3="3.81508"
                        zFract="0.190754"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="7.27909"
                        xFract="0.66777124"
                        y3="7.71239"
                        yFract="0.75043981"
                        z3="3.81423"
                        zFract="0.1907115"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="1.82833"
                        xFract="0.16772786"
                        y3="1.30144"
                        yFract="0.12663421"
                        z3="5.18227"
                        zFract="0.2591135"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="5.45152"
                        xFract="0.5001131"
                        y3="1.25932"
                        yFract="0.1225358"
                        z3="5.10559"
                        zFract="0.2552795"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="9.06696"
                        xFract="0.83178737"
                        y3="1.30325"
                        yFract="0.12681033"
                        z3="5.18918"
                        zFract="0.259459"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="1.84268"
                        xFract="0.1690443"
                        y3="3.85724"
                        yFract="0.37532159"
                        z3="5.17311"
                        zFract="0.2586555"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="5.44768"
                        xFract="0.49976082"
                        y3="3.85166"
                        yFract="0.37477864"
                        z3="5.00384"
                        zFract="0.250192"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="9.05575"
                        xFract="0.83075898"
                        y3="3.85528"
                        yFract="0.37513087"
                        z3="5.17502"
                        zFract="0.258751"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="1.82854"
                        xFract="0.16774713"
                        y3="6.41724"
                        yFract="0.62441764"
                        z3="5.1822"
                        zFract="0.25911"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="5.44975"
                        xFract="0.49995072"
                        y3="6.44995"
                        yFract="0.62760043"
                        z3="5.10223"
                        zFract="0.2551115"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="9.07277"
                        xFract="0.83232037"
                        y3="6.41492"
                        yFract="0.6241919"
                        z3="5.1810"
                        zFract="0.25905"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="1.80416"
                        xFract="0.16551055"
                        y3="9.0013"
                        yFract="0.87585481"
                        z3="5.15735"
                        zFract="0.2578675"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="5.45161"
                        xFract="0.50012136"
                        y3="8.99711"
                        yFract="0.87544711"
                        z3="5.14015"
                        zFract="0.2570075"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.09373"
                        xFract="0.8342432"
                        y3="8.99963"
                        yFract="0.87569231"
                        z3="5.15983"
                        zFract="0.2579915"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="-0.00084"
                        xFract="-0.00007706"
                        y3="0.01152"
                        yFract="0.00112093"
                        z3="6.31651"
                        zFract="0.3158255"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="3.63517"
                        xFract="0.33348426"
                        y3="-0.00579"
                        yFract="-0.00056339"
                        z3="6.29484"
                        zFract="0.314742"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="7.26438"
                        xFract="0.66642177"
                        y3="-0.00738"
                        yFract="-0.0007181"
                        z3="6.29686"
                        zFract="0.314843"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="0.00074"
                        xFract="0.00006789"
                        y3="2.58335"
                        yFract="0.25136808"
                        z3="6.30403"
                        zFract="0.3152015"/>
                  <atom elementType="Cu"
                        id="a65"
                        x3="3.71531"
                        xFract="0.34083617"
                        y3="2.56925"
                        yFract="0.24999611"
                        z3="6.35262"
                        zFract="0.317631"/>
                  <atom elementType="Cu"
                        id="a66"
                        x3="7.17231"
                        xFract="0.65797542"
                        y3="2.58309"
                        yFract="0.25134278"
                        z3="6.35964"
                        zFract="0.317982"/>
                  <atom elementType="Cu"
                        id="a67"
                        x3="-0.00095"
                        xFract="-0.00008715"
                        y3="5.13716"
                        yFract="0.49986183"
                        z3="6.30059"
                        zFract="0.3150295"/>
                  <atom elementType="Cu"
                        id="a68"
                        x3="3.71563"
                        xFract="0.34086553"
                        y3="5.1499"
                        yFract="0.50110147"
                        z3="6.3692"
                        zFract="0.31846"/>
                  <atom elementType="Cu"
                        id="a69"
                        x3="7.18462"
                        xFract="0.65910472"
                        y3="5.14949"
                        yFract="0.50106158"
                        z3="6.36556"
                        zFract="0.318278"/>
                  <atom elementType="Cu"
                        id="a70"
                        x3="-0.00031"
                        xFract="-0.00002844"
                        y3="7.7078"
                        yFract="0.74999319"
                        z3="6.31382"
                        zFract="0.315691"/>
                  <atom elementType="Cu"
                        id="a71"
                        x3="3.63307"
                        xFract="0.33329161"
                        y3="7.73114"
                        yFract="0.75226424"
                        z3="6.2870"
                        zFract="0.31435"/>
                  <atom elementType="Cu"
                        id="a72"
                        x3="7.26707"
                        xFract="0.66666854"
                        y3="7.72313"
                        yFract="0.75148485"
                        z3="6.28896"
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      </module>
   </module>
</module>
