<?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">2022-09-20T04:14:41.000</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"/>
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                        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"/>
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                        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"
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                        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"/>
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                        id="a34"
                        x3="1.81676242"
                        xFract="0.16666667"
                        y3="8.992515"
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                        z3="2.56929"
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                        id="a35"
                        x3="5.45028715"
                        xFract="0.5000"
                        y3="8.992515"
                        yFract="0.8750"
                        z3="2.56929"
                        zFract="0.1284645"/>
                  <atom elementType="Cu"
                        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="0.00157611"
                        xFract="0.00014459"
                        y3="10.27348551"
                        yFract="0.99964246"
                        z3="3.8166094"
                        zFract="0.19083047"/>
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                        id="a38"
                        x3="3.63060479"
                        xFract="0.33306546"
                        y3="10.2749463"
                        yFract="0.9997846"
                        z3="3.8094794"
                        zFract="0.19047397"/>
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                        id="a39"
                        x3="7.28168773"
                        xFract="0.66800955"
                        y3="10.27433902"
                        yFract="0.99972551"
                        z3="3.8161706"
                        zFract="0.19080853"/>
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                        id="a40"
                        x3="0.00875382"
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                        y3="2.57743126"
                        yFract="0.25079217"
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                        id="a41"
                        x3="3.63234692"
                        xFract="0.33322528"
                        y3="2.56330386"
                        yFract="0.24941753"
                        z3="3.8055624"
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                        id="a53"
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                        id="a65"
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                  <bond atomRefs2="a59 a62" order="S"/>
                  <bond atomRefs2="a60 a63" order="S"/>
                  <bond atomRefs2="a60 a72" order="S"/>
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                  <bond atomRefs2="a65 a68" order="S"/>
                  <bond atomRefs2="a66 a69" order="S"/>
                  <bond atomRefs2="a68 a71" order="S"/>
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                  <bond atomRefs2="a69 a72" order="S"/>
                  <bond atomRefs2="a73 a81" order="S"/>
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                  <bond atomRefs2="a75 a81" order="S"/>
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                  <bond atomRefs2="a77 a83" order="S"/>
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                  <bond atomRefs2="a81 a82" order="S"/>
                  <bond atomRefs2="a82 a83" order="S"/>
                  <bond atomRefs2="a82 a84" order="S"/>
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               <formula concise="C3H8Cu72O">
                  <atomArray count="3 8 72 1" elementType="C H Cu O"/>
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               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">4627.343499999996</scalar>
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            </molecule>
            <parameterList>
               <parameter dictRef="v:nwrite">
                  <scalar dataType="xsd:integer">2</scalar>
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               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">1</scalar>
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               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">450</scalar>
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               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
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               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
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               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.1500</scalar>
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               <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">818.0000</scalar>
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               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
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               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">0</scalar>
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               <parameter dictRef="v:sigma">
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               <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>
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               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
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               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
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               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
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               <parameter dictRef="v:vdwversion">
                  <scalar dataType="xsd:integer">2</scalar>
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            </parameterList>
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                         delimiter="|"
                         dictRef="v:pseudopotential"
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         <module dictRef="cc:calculation" id="calculation">
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-0.001014 -0.000345 -0.000303 -0.000242 -0.000082 -0.000461 -0.000403 0.000943 0.000110 -0.000636 0.000149 -0.000032 -0.000471 0.000755 -0.000443 -0.001072 0.000030 0.000262 -0.000034 0.000239 -0.000519 -0.000516 -0.000333 0.000710 -0.000132 -0.000977 -0.001945 -0.000516 -0.000431 -0.000355 -0.000302 -0.000114 -0.000588 0.000341 0.000619 0.000071 -0.000384 -0.000433 -0.000407 -0.000151 0.000209 -0.002676 -0.002245 0.001444 -0.010447 0.000572 0.008013 -0.013419 -0.001420 -0.010150 -0.006077 0.001395 0.009056 0.004952 -0.009360 0.002035 -0.008826 0.000939 -0.013660 -0.000595 0.000607 -0.002604 -0.012508 0.013530 -0.007746 0.010072 -0.011848 0.006963 0.015111 0.008684 -0.003685 0.007466 -0.001934 0.012119 0.003924 -0.006918 -0.001021</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">-315.65055975</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-315.62976780</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-315.64016377</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.5858</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.2760062E-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="0.00038"
                        xFract="0.00003486"
                        y3="0.00102"
                        yFract="0.00009925"
                        z3="3.81935"
                        zFract="0.1909675"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.63396"
                        xFract="0.33337326"
                        y3="0.00234"
                        yFract="0.00022769"
                        z3="3.81906"
                        zFract="0.190953"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.26714"
                        xFract="0.66667497"
                        y3="0.00226"
                        yFract="0.00021991"
                        z3="3.82005"
                        zFract="0.1910025"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="-0.0001"
                        xFract="-0.00000917"
                        y3="2.5702"
                        yFract="0.25008855"
                        z3="3.81808"
                        zFract="0.190904"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="3.63326"
                        xFract="0.33330904"
                        y3="2.57221"
                        yFract="0.25028413"
                        z3="3.81289"
                        zFract="0.1906445"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="7.27021"
                        xFract="0.6669566"
                        y3="2.5666"
                        yFract="0.24973825"
                        z3="3.81792"
                        zFract="0.190896"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="-0.00142"
                        xFract="-0.00013027"
                        y3="5.1410"
                        yFract="0.50023547"
                        z3="3.81851"
                        zFract="0.1909255"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="3.63481"
                        xFract="0.33345124"
                        y3="5.1397"
                        yFract="0.50010898"
                        z3="3.86943"
                        zFract="0.1934715"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.26844"
                        xFract="0.66679423"
                        y3="5.13927"
                        yFract="0.50006714"
                        z3="3.81745"
                        zFract="0.1908725"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="0.00075"
                        xFract="0.0000688"
                        y3="7.70982"
                        yFract="0.75018974"
                        z3="3.81694"
                        zFract="0.190847"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.63277"
                        xFract="0.33326409"
                        y3="7.70997"
                        yFract="0.75020434"
                        z3="3.81738"
                        zFract="0.190869"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="7.27031"
                        xFract="0.66696578"
                        y3="7.7116"
                        yFract="0.75036294"
                        z3="3.81818"
                        zFract="0.190909"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="1.8098"
                        xFract="0.16602795"
                        y3="1.28489"
                        yFract="0.12502384"
                        z3="5.15984"
                        zFract="0.257992"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="5.45955"
                        xFract="0.50084976"
                        y3="1.28289"
                        yFract="0.12482923"
                        z3="5.16578"
                        zFract="0.258289"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="9.08168"
                        xFract="0.83313776"
                        y3="1.2881"
                        yFract="0.12533618"
                        z3="5.16357"
                        zFract="0.2581785"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="1.82367"
                        xFract="0.16730036"
                        y3="3.8581"
                        yFract="0.37540527"
                        z3="5.15843"
                        zFract="0.2579215"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="5.4514"
                        xFract="0.50010209"
                        y3="3.85117"
                        yFract="0.37473096"
                        z3="5.15519"
                        zFract="0.2577595"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="9.08205"
                        xFract="0.8331717"
                        y3="3.8537"
                        yFract="0.37497713"
                        z3="5.16062"
                        zFract="0.258031"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="1.82426"
                        xFract="0.16735449"
                        y3="6.42587"
                        yFract="0.62525737"
                        z3="5.16241"
                        zFract="0.2581205"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="5.45309"
                        xFract="0.50025713"
                        y3="6.43021"
                        yFract="0.62567966"
                        z3="5.14577"
                        zFract="0.2572885"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="9.08234"
                        xFract="0.8331983"
                        y3="6.42838"
                        yFract="0.6255016"
                        z3="5.16097"
                        zFract="0.2580485"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="1.81248"
                        xFract="0.16627381"
                        y3="8.99987"
                        yFract="0.87571566"
                        z3="5.16182"
                        zFract="0.258091"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="5.45601"
                        xFract="0.500525"
                        y3="9.00182"
                        yFract="0.87590541"
                        z3="5.16009"
                        zFract="0.2580045"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.08442"
                        xFract="0.83338912"
                        y3="8.99646"
                        yFract="0.87538386"
                        z3="5.16172"
                        zFract="0.258086"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="-0.00154"
                        xFract="-0.00014128"
                        y3="0.00427"
                        yFract="0.00041548"
                        z3="6.31727"
                        zFract="0.3158635"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="3.6333"
                        xFract="0.33331271"
                        y3="0.00622"
                        yFract="0.00060523"
                        z3="6.32344"
                        zFract="0.316172"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="7.2715"
                        xFract="0.66707495"
                        y3="0.0043"
                        yFract="0.0004184"
                        z3="6.32083"
                        zFract="0.3160415"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="0.00047"
                        xFract="0.00004312"
                        y3="2.57552"
                        yFract="0.2506062"
                        z3="6.30875"
                        zFract="0.3154375"/>
                  <atom elementType="Cu"
                        id="a65"
                        x3="3.6383"
                        xFract="0.33377141"
                        y3="2.53726"
                        yFract="0.24688338"
                        z3="6.28764"
                        zFract="0.314382"/>
                  <atom elementType="Cu"
                        id="a66"
                        x3="7.25907"
                        xFract="0.66593464"
                        y3="2.57834"
                        yFract="0.25088059"
                        z3="6.32186"
                        zFract="0.316093"/>
                  <atom elementType="Cu"
                        id="a67"
                        x3="-0.00047"
                        xFract="-0.00004312"
                        y3="5.14198"
                        yFract="0.50033083"
                        z3="6.30555"
                        zFract="0.3152775"/>
                  <atom elementType="Cu"
                        id="a68"
                        x3="3.63432"
                        xFract="0.33340629"
                        y3="5.15304"
                        yFract="0.501407"
                        z3="6.38168"
                        zFract="0.319084"/>
                  <atom elementType="Cu"
                        id="a69"
                        x3="7.26891"
                        xFract="0.66683734"
                        y3="5.13896"
                        yFract="0.50003698"
                        z3="6.3090"
                        zFract="0.31545"/>
                  <atom elementType="Cu"
                        id="a70"
                        x3="0.00202"
                        xFract="0.00018531"
                        y3="7.70913"
                        yFract="0.7501226"
                        z3="6.30946"
                        zFract="0.315473"/>
                  <atom elementType="Cu"
                        id="a71"
                        x3="3.63707"
                        xFract="0.33365857"
                        y3="7.74408"
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   </module>
</module>
