<?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">2022-09-20T05:10:55.000</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"
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                        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"/>
                  <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="10.89849163"
                        xFract="0.99980894"
                        y3="0.00012394"
                        yFract="0.00001206"
                        z3="3.8161666"
                        zFract="0.19080833"/>
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                        id="a38"
                        x3="3.63307105"
                        xFract="0.33329171"
                        y3="0.0024769"
                        yFract="0.00024101"
                        z3="3.8122928"
                        zFract="0.19061464"/>
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                        id="a39"
                        x3="7.27263644"
                        xFract="0.6671792"
                        y3="10.27667112"
                        yFract="0.99995243"
                        z3="3.8159032"
                        zFract="0.19079516"/>
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                        id="a40"
                        x3="0.00118315"
                        xFract="0.00010854"
                        y3="2.57164121"
                        yFract="0.25022878"
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                        id="a41"
                        x3="3.63390429"
                        xFract="0.33336815"
                        y3="2.57561302"
                        yFract="0.25061525"
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                        id="a42"
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                        id="a45"
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                        xFract="0.66706364"
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                        id="a47"
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                        id="a53"
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                        y3="3.86775788"
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                        id="a62"
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                        id="a63"
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                        id="a64"
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                        z3="6.2954584"
                        zFract="0.31477292"/>
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                        id="a65"
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                  <bond atomRefs2="a86 a87" order="S"/>
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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:ismear">
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               <parameter dictRef="v:sigma">
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               <parameter dictRef="v:ldipol">
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               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">3</scalar>
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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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0.000064 -0.000141 0.000046 0.000097 0.000661 -0.000191 0.000224 0.000475 -0.000527 -0.000334 -0.000615 -0.000325 0.000439 -0.000206 -0.000224 0.000040 -0.000030 -0.000184 -0.000359 0.000405 -0.000395 -0.000155 -0.000525 -0.000332 0.000223 -0.000277 -0.000265 0.000323 -0.000032 0.000014 -0.000288 -0.000180 -0.000950 0.000073 0.000401 -0.000663 -0.000728 0.000009 -0.000511 -0.000280 -0.000146 -0.000904 -0.000125 -0.000098 -0.000062 -0.000523 0.000095 -0.000159 -0.000279 -0.000188 -0.000504 -0.000021 -0.000079 -0.000326 -0.000054 0.000032 -0.000413 -0.000535 -0.000094 -0.000131 -0.000232 0.000151 -0.000131 0.000009 0.000213 -0.004256 -0.001639 0.002719 -0.000320 0.010614 0.003432 0.002038 0.001429 0.004741 0.004027 -0.002294 0.001259 -0.004249 0.000778 0.003599 -0.004199 0.001001 0.002943 -0.008381 0.004675 -0.000417 0.000866 -0.012971 0.006123 -0.002273 -0.004972 0.003517 0.005167 -0.004584 -0.006194 0.008938 0.007657 0.000481 0.000883 -0.004477 0.006375 -0.015240 -0.007912 0.000694 0.005504 0.004532 0.003565 0.005275 0.007972 -0.015094</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">-331.63682082</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-331.61540555</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-331.62611318</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">0.6704</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.8861150E-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="-0.0004"
                        xFract="-0.0000367"
                        y3="-0.00092"
                        yFract="-0.00008952"
                        z3="3.81764"
                        zFract="0.190882"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.63389"
                        xFract="0.33336684"
                        y3="-0.00052"
                        yFract="-0.0000506"
                        z3="3.81631"
                        zFract="0.1908155"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="7.26793"
                        xFract="0.66674744"
                        y3="0.00056"
                        yFract="0.00005449"
                        z3="3.81729"
                        zFract="0.1908645"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="0.00012"
                        xFract="0.00001101"
                        y3="2.56868"
                        yFract="0.24994065"
                        z3="3.8155"
                        zFract="0.190775"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="3.63355"
                        xFract="0.33333565"
                        y3="2.57052"
                        yFract="0.25011968"
                        z3="3.81442"
                        zFract="0.190721"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="7.26854"
                        xFract="0.6668034"
                        y3="2.57071"
                        yFract="0.25013817"
                        z3="3.81589"
                        zFract="0.1907945"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="-0.00026"
                        xFract="-0.00002385"
                        y3="5.13933"
                        yFract="0.50007298"
                        z3="3.81736"
                        zFract="0.190868"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="3.63485"
                        xFract="0.33345491"
                        y3="5.13971"
                        yFract="0.50010995"
                        z3="3.87817"
                        zFract="0.1939085"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="7.26713"
                        xFract="0.66667405"
                        y3="5.14224"
                        yFract="0.50035613"
                        z3="3.81605"
                        zFract="0.1908025"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="0.00219"
                        xFract="0.00020091"
                        y3="7.70782"
                        yFract="0.74999513"
                        z3="3.81724"
                        zFract="0.190862"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="3.6327"
                        xFract="0.33325767"
                        y3="7.70916"
                        yFract="0.75012552"
                        z3="3.81139"
                        zFract="0.1905695"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="7.2679"
                        xFract="0.66674469"
                        y3="7.71137"
                        yFract="0.75034056"
                        z3="3.81602"
                        zFract="0.190801"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="1.81075"
                        xFract="0.1661151"
                        y3="1.28233"
                        yFract="0.12477474"
                        z3="5.15478"
                        zFract="0.257739"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="5.46321"
                        xFract="0.50118552"
                        y3="1.27911"
                        yFract="0.12446143"
                        z3="5.15397"
                        zFract="0.2576985"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="9.0806"
                        xFract="0.83303868"
                        y3="1.2841"
                        yFract="0.12494697"
                        z3="5.15788"
                        zFract="0.257894"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="1.82427"
                        xFract="0.1673554"
                        y3="3.85641"
                        yFract="0.37524083"
                        z3="5.1514"
                        zFract="0.25757"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="5.45029"
                        xFract="0.50000026"
                        y3="3.86148"
                        yFract="0.37573415"
                        z3="5.1543"
                        zFract="0.257715"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="9.08122"
                        xFract="0.83309556"
                        y3="3.85509"
                        yFract="0.37511239"
                        z3="5.15602"
                        zFract="0.257801"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="1.82345"
                        xFract="0.16728018"
                        y3="6.42118"
                        yFract="0.62480102"
                        z3="5.16593"
                        zFract="0.2582965"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="5.44638"
                        xFract="0.49964157"
                        y3="6.43063"
                        yFract="0.62572053"
                        z3="5.15833"
                        zFract="0.2579165"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="9.08674"
                        xFract="0.83360195"
                        y3="6.42909"
                        yFract="0.62557068"
                        z3="5.15641"
                        zFract="0.2578205"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="1.80693"
                        xFract="0.16576466"
                        y3="8.99831"
                        yFract="0.87556387"
                        z3="5.15762"
                        zFract="0.257881"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="5.45799"
                        xFract="0.50070665"
                        y3="8.99739"
                        yFract="0.87547435"
                        z3="5.1603"
                        zFract="0.258015"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="9.08808"
                        xFract="0.83372488"
                        y3="8.99517"
                        yFract="0.87525834"
                        z3="5.15938"
                        zFract="0.257969"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="-0.00143"
                        xFract="-0.00013119"
                        y3="0.00488"
                        yFract="0.00047484"
                        z3="6.31745"
                        zFract="0.3158725"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="3.63457"
                        xFract="0.33342922"
                        y3="-0.00005"
                        yFract="-0.00000487"
                        z3="6.3144"
                        zFract="0.31572"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="7.27189"
                        xFract="0.66711072"
                        y3="0.00007"
                        yFract="0.00000681"
                        z3="6.31812"
                        zFract="0.315906"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="10.89212"
                        xFract="0.99922442"
                        y3="2.57176"
                        yFract="0.25024034"
                        z3="6.30073"
                        zFract="0.3150365"/>
                  <atom elementType="Cu"
                        id="a65"
                        x3="3.65471"
                        xFract="0.33527683"
                        y3="2.53691"
                        yFract="0.24684932"
                        z3="6.27692"
                        zFract="0.313846"/>
                  <atom elementType="Cu"
                        id="a66"
                        x3="7.2635"
                        xFract="0.66634104"
                        y3="2.5750"
                        yFract="0.2505556"
                        z3="6.31027"
                        zFract="0.3155135"/>
                  <atom elementType="Cu"
                        id="a67"
                        x3="10.89736"
                        xFract="0.99970513"
                        y3="5.13799"
                        yFract="0.49994259"
                        z3="6.30468"
                        zFract="0.315234"/>
                  <atom elementType="Cu"
                        id="a68"
                        x3="3.63699"
                        xFract="0.33365123"
                        y3="5.14418"
                        yFract="0.5005449"
                        z3="6.4130"
                        zFract="0.32065"/>
                  <atom elementType="Cu"
                        id="a69"
                        x3="7.27368"
                        xFract="0.66727493"
                        y3="5.14551"
                        yFract="0.50067431"
                        z3="6.30354"
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      </module>
   </module>
</module>
