<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">05Feb16 (build Aug 31 2021 10:05:11) complex</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">IFC91_ompi</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2023-02-03T23:09:18.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <molecule id="initial">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="12.140854"
                        xFract="0.48563416"
                        y3="12.71048775"
                        yFract="0.50841951"
                        z3="11.82627325"
                        zFract="0.47305093"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="13.92787475"
                        xFract="0.55711499"
                        y3="14.0089225"
                        yFract="0.5603569"
                        z3="12.930227"
                        zFract="0.51720908"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="12.823482"
                        xFract="0.51293928"
                        y3="14.81090675"
                        yFract="0.59243627"
                        z3="10.72141875"
                        zFract="0.42885675"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="14.349668"
                        xFract="0.57398672"
                        y3="12.71014575"
                        yFract="0.50840583"
                        z3="10.72157325"
                        zFract="0.42886293"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.92779525"
                        xFract="0.55711181"
                        y3="11.41159175"
                        yFract="0.45646367"
                        z3="12.93052175"
                        zFract="0.51722087"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="12.14069675"
                        xFract="0.48562787"
                        y3="12.71018275"
                        yFract="0.50840731"
                        z3="14.29603675"
                        zFract="0.57184147"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.457982"
                        xFract="0.45831928"
                        y3="14.811054"
                        yFract="0.59244216"
                        z3="12.93072825"
                        zFract="0.51722913"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.1408435"
                        xFract="0.48563374"
                        y3="12.71000075"
                        yFract="0.50840003"
                        z3="9.3561295"
                        zFract="0.37424518"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="12.8236015"
                        xFract="0.51294406"
                        y3="10.6089285"
                        yFract="0.42435714"
                        z3="10.7218965"
                        zFract="0.42887586"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.4581795"
                        xFract="0.45832718"
                        y3="10.60881325"
                        yFract="0.42435253"
                        z3="12.93039775"
                        zFract="0.51721591"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.93178025"
                        xFract="0.39727121"
                        y3="12.70974925"
                        yFract="0.50838997"
                        z3="12.93072675"
                        zFract="0.51722907"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="10.35357375"
                        xFract="0.41414295"
                        y3="14.00865325"
                        yFract="0.56034613"
                        z3="10.722011"
                        zFract="0.42888044"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="10.353688"
                        xFract="0.41414752"
                        y3="11.41138025"
                        yFract="0.45645521"
                        z3="10.721827"
                        zFract="0.42887308"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="15.66420425"
                        xFract="0.62656817"
                        y3="15.2694065"
                        yFract="0.61077626"
                        z3="14.00266175"
                        zFract="0.56010647"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="14.64487675"
                        xFract="0.58579507"
                        y3="16.156191"
                        yFract="0.64624764"
                        z3="11.825891"
                        zFract="0.47303564"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="16.1926225"
                        xFract="0.6477049"
                        y3="14.02640275"
                        yFract="0.56105611"
                        z3="11.82612725"
                        zFract="0.47304509"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="15.7642995"
                        xFract="0.63057198"
                        y3="12.71007425"
                        yFract="0.50840297"
                        z3="14.06562425"
                        zFract="0.56262497"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="13.95266075"
                        xFract="0.55810643"
                        y3="14.02659975"
                        yFract="0.56106399"
                        z3="15.44906"
                        zFract="0.6179624"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="13.260707"
                        xFract="0.53042828"
                        y3="16.1569025"
                        yFract="0.6462761"
                        z3="14.06522525"
                        zFract="0.56260901"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.1406765"
                        xFract="0.48562706"
                        y3="16.96962925"
                        yFract="0.67878517"
                        z3="11.82638175"
                        zFract="0.47305527"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.48640425"
                        xFract="0.53945617"
                        y3="16.8509475"
                        yFract="0.6740379"
                        z3="9.649381"
                        zFract="0.38597524"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="15.07245"
                        xFract="0.602898"
                        y3="14.83971275"
                        yFract="0.59358851"
                        z3="9.58631025"
                        zFract="0.38345241"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="16.4950185"
                        xFract="0.65980074"
                        y3="12.7099355"
                        yFract="0.50839742"
                        z3="9.6494075"
                        zFract="0.3859763"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="16.19199125"
                        xFract="0.64767965"
                        y3="11.393418"
                        yFract="0.45573672"
                        z3="11.826246"
                        zFract="0.47304984"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.664114"
                        xFract="0.62656456"
                        y3="10.15074275"
                        yFract="0.40602971"
                        z3="14.003179"
                        zFract="0.56012716"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="13.95263375"
                        xFract="0.55810535"
                        y3="11.39325075"
                        yFract="0.45573003"
                        z3="15.44931125"
                        zFract="0.61797245"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="12.14085075"
                        xFract="0.48563403"
                        y3="12.70958525"
                        yFract="0.50838341"
                        z3="16.69468175"
                        zFract="0.66778727"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="11.44895125"
                        xFract="0.45795805"
                        y3="14.83974175"
                        yFract="0.59358967"
                        z3="15.449402"
                        zFract="0.61797608"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="10.79479225"
                        xFract="0.43179169"
                        y3="16.8507975"
                        yFract="0.6740319"
                        z3="14.00304925"
                        zFract="0.56012197"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="11.02088925"
                        xFract="0.44083557"
                        y3="16.15667225"
                        yFract="0.64626689"
                        z3="9.587423"
                        zFract="0.38349692"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="12.83271875"
                        xFract="0.51330875"
                        y3="14.83969375"
                        yFract="0.59358775"
                        z3="8.20291525"
                        zFract="0.32811661"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="14.3803855"
                        xFract="0.57521542"
                        y3="12.70962875"
                        yFract="0.50838515"
                        z3="8.20286125"
                        zFract="0.32811445"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="15.07266925"
                        xFract="0.60290677"
                        y3="10.57996725"
                        yFract="0.42319869"
                        z3="9.58668025"
                        zFract="0.38346721"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="14.64450825"
                        xFract="0.58578033"
                        y3="9.26311525"
                        yFract="0.37052461"
                        z3="11.82656225"
                        zFract="0.47306249"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="13.2606505"
                        xFract="0.53042602"
                        y3="9.2640115"
                        yFract="0.37056046"
                        z3="14.065751"
                        zFract="0.56263004"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="11.448609"
                        xFract="0.45794436"
                        y3="10.57996775"
                        yFract="0.42319871"
                        z3="15.44906575"
                        zFract="0.61796263"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="9.9010995"
                        xFract="0.39604398"
                        y3="12.709686"
                        yFract="0.50838744"
                        z3="15.44931925"
                        zFract="0.61797277"/>
                  <atom elementType="Cu"
                        id="a38"
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                        xFract="0.36836635"
                        y3="14.83946975"
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                        z3="14.06625925"
                        zFract="0.56265037"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="9.636402"
                        xFract="0.38545608"
                        y3="16.15597375"
                        yFract="0.64623895"
                        z3="11.8266065"
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                  <atom elementType="Cu"
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               <formula concise="Cu55">
                  <atomArray count="55" elementType="Cu"/>
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               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">500</scalar>
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               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.1E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
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                  <scalar dataType="xsd:double">0.2000</scalar>
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               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
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                  <scalar dataType="xsd:integer">0</scalar>
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                  <scalar dataType="xsd:string">RP</scalar>
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                  </list>
               </module>
               <module cmlx:templateRef="forces" id="forces">
                  <matrix cols="165"
                          dataType="xsd:double"
                          dictRef="cc:force"
                          rows="1"
                          units="nonsi2:ev.angstrom-1">-0.001555 -0.005591 -0.001381 0.012972 0.007300 0.008625 0.003474 0.013397 -0.005181 0.015278 -0.001228 -0.005274 0.012828 -0.007961 0.007108 0.001203 -0.001901 0.014446 -0.003328 0.011855 0.005997 -0.001469 -0.001294 -0.013346 0.004259 -0.012046 -0.005527 -0.005299 -0.012009 0.006985 -0.014179 -0.000360 0.005791 -0.011481 0.007010 -0.006528 -0.011371 -0.006654 -0.006030 0.001784 0.004268 0.003759 0.007485 0.011292 -0.000012 0.008443 0.003101 -0.000565 0.010669 -0.000514 0.005177 0.004293 0.003339 0.011815 0.003490 0.008524 0.006227 0.000317 0.011210 -0.000542 0.002031 0.007004 -0.005091 0.008222 0.006277 -0.005593 0.008212 -0.000780 -0.003941 0.009913 -0.003259 -0.000610 0.001632 -0.003749 0.002643 0.004275 -0.002017 0.011884 0.000060 0.000099 0.004801 -0.001539 0.006093 0.012202 -0.000925 0.007563 0.005036 -0.004414 0.009061 -0.007462 0.000775 0.006314 -0.012098 0.006128 -0.000655 -0.012059 0.006747 -0.006445 -0.005187 0.008050 -0.006598 0.000402 0.002471 -0.009725 0.005453 -0.001982 -0.006305 0.011638 -0.005389 -0.000926 0.012835 -0.008805 0.005614 0.005048 -0.007233 0.011263 -0.000210 -0.004718 0.003997 -0.011429 -0.000855 -0.000220 -0.003265 0.001746 -0.006355 -0.011673 0.001501 -0.005077 -0.005730 0.000647 -0.012744 -0.000354 -0.000817 -0.004483 0.005454 -0.006119 -0.005660 0.004176 -0.007650 -0.000799 0.003858 -0.008437 0.003855 -0.000237 -0.002915 0.004692 -0.004550 -0.003515 -0.002309 -0.011991 -0.002997 -0.009868 -0.006491 -0.007832 -0.007345 -0.000380 -0.009577 -0.003947 -0.000198 -0.012338 -0.000742 -0.006042 -0.002166 -0.003562 -0.002384</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">-149.36799685</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-149.26542170</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-149.33380513</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.5617</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.0</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="12.14085"
                        xFract="0.485634"
                        y3="12.71049"
                        yFract="0.5084196"
                        z3="11.82627"
                        zFract="0.4730508"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="13.92787"
                        xFract="0.5571148"
                        y3="14.00892"
                        yFract="0.5603568"
                        z3="12.93023"
                        zFract="0.5172092"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="12.82348"
                        xFract="0.5129392"
                        y3="14.81091"
                        yFract="0.5924364"
                        z3="10.72142"
                        zFract="0.4288568"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="14.34967"
                        xFract="0.5739868"
                        y3="12.71015"
                        yFract="0.508406"
                        z3="10.72157"
                        zFract="0.4288628"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="13.9278"
                        xFract="0.557112"
                        y3="11.41159"
                        yFract="0.4564636"
                        z3="12.93052"
                        zFract="0.5172208"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="12.1407"
                        xFract="0.485628"
                        y3="12.71018"
                        yFract="0.5084072"
                        z3="14.29604"
                        zFract="0.5718416"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="11.45798"
                        xFract="0.4583192"
                        y3="14.81105"
                        yFract="0.592442"
                        z3="12.93073"
                        zFract="0.5172292"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="12.14084"
                        xFract="0.4856336"
                        y3="12.7100"
                        yFract="0.5084"
                        z3="9.35613"
                        zFract="0.3742452"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="12.8236"
                        xFract="0.512944"
                        y3="10.60893"
                        yFract="0.4243572"
                        z3="10.7219"
                        zFract="0.428876"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="11.45818"
                        xFract="0.4583272"
                        y3="10.60881"
                        yFract="0.4243524"
                        z3="12.9304"
                        zFract="0.517216"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="9.93178"
                        xFract="0.3972712"
                        y3="12.70975"
                        yFract="0.50839"
                        z3="12.93073"
                        zFract="0.5172292"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="10.35357"
                        xFract="0.4141428"
                        y3="14.00865"
                        yFract="0.560346"
                        z3="10.72201"
                        zFract="0.4288804"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="10.35369"
                        xFract="0.4141476"
                        y3="11.41138"
                        yFract="0.4564552"
                        z3="10.72183"
                        zFract="0.4288732"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="15.6642"
                        xFract="0.626568"
                        y3="15.26941"
                        yFract="0.6107764"
                        z3="14.00266"
                        zFract="0.5601064"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="14.64488"
                        xFract="0.5857952"
                        y3="16.15619"
                        yFract="0.6462476"
                        z3="11.82589"
                        zFract="0.4730356"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="16.19262"
                        xFract="0.6477048"
                        y3="14.0264"
                        yFract="0.561056"
                        z3="11.82613"
                        zFract="0.4730452"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="15.7643"
                        xFract="0.630572"
                        y3="12.71007"
                        yFract="0.5084028"
                        z3="14.06562"
                        zFract="0.5626248"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="13.95266"
                        xFract="0.5581064"
                        y3="14.0266"
                        yFract="0.561064"
                        z3="15.44906"
                        zFract="0.6179624"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="13.26071"
                        xFract="0.5304284"
                        y3="16.1569"
                        yFract="0.646276"
                        z3="14.06523"
                        zFract="0.5626092"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="12.14068"
                        xFract="0.4856272"
                        y3="16.96963"
                        yFract="0.6787852"
                        z3="11.82638"
                        zFract="0.4730552"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="13.4864"
                        xFract="0.539456"
                        y3="16.85095"
                        yFract="0.674038"
                        z3="9.64938"
                        zFract="0.3859752"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="15.07245"
                        xFract="0.602898"
                        y3="14.83971"
                        yFract="0.5935884"
                        z3="9.58631"
                        zFract="0.3834524"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="16.49502"
                        xFract="0.6598008"
                        y3="12.70994"
                        yFract="0.5083976"
                        z3="9.64941"
                        zFract="0.3859764"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="16.19199"
                        xFract="0.6476796"
                        y3="11.39342"
                        yFract="0.4557368"
                        z3="11.82625"
                        zFract="0.47305"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="15.66411"
                        xFract="0.6265644"
                        y3="10.15074"
                        yFract="0.4060296"
                        z3="14.00318"
                        zFract="0.5601272"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="13.95263"
                        xFract="0.5581052"
                        y3="11.39325"
                        yFract="0.45573"
                        z3="15.44931"
                        zFract="0.6179724"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="12.14085"
                        xFract="0.485634"
                        y3="12.70959"
                        yFract="0.5083836"
                        z3="16.69468"
                        zFract="0.6677872"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="11.44895"
                        xFract="0.457958"
                        y3="14.83974"
                        yFract="0.5935896"
                        z3="15.4494"
                        zFract="0.617976"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="10.79479"
                        xFract="0.4317916"
                        y3="16.8508"
                        yFract="0.674032"
                        z3="14.00305"
                        zFract="0.560122"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="11.02089"
                        xFract="0.4408356"
                        y3="16.15667"
                        yFract="0.6462668"
                        z3="9.58742"
                        zFract="0.3834968"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="12.83272"
                        xFract="0.5133088"
                        y3="14.83969"
                        yFract="0.5935876"
                        z3="8.20292"
                        zFract="0.3281168"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="14.38039"
                        xFract="0.5752156"
                        y3="12.70963"
                        yFract="0.5083852"
                        z3="8.20286"
                        zFract="0.3281144"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="15.07267"
                        xFract="0.6029068"
                        y3="10.57997"
                        yFract="0.4231988"
                        z3="9.58668"
                        zFract="0.3834672"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="14.64451"
                        xFract="0.5857804"
                        y3="9.26312"
                        yFract="0.3705248"
                        z3="11.82656"
                        zFract="0.4730624"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="13.26065"
                        xFract="0.530426"
                        y3="9.26401"
                        yFract="0.3705604"
                        z3="14.06575"
                        zFract="0.56263"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="11.44861"
                        xFract="0.4579444"
                        y3="10.57997"
                        yFract="0.4231988"
                        z3="15.44907"
                        zFract="0.6179628"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="9.9011"
                        xFract="0.396044"
                        y3="12.70969"
                        yFract="0.5083876"
                        z3="15.44932"
                        zFract="0.6179728"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="9.20916"
                        xFract="0.3683664"
                        y3="14.83947"
                        yFract="0.5935788"
                        z3="14.06626"
                        zFract="0.5626504"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="9.6364"
                        xFract="0.385456"
                        y3="16.15597"
                        yFract="0.6462388"
                        z3="11.82661"
                        zFract="0.4730644"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="10.32899"
                        xFract="0.4131596"
                        y3="14.02636"
                        yFract="0.5610544"
                        z3="8.20317"
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                  <bond atomRefs2="a20 a21" order="S"/>
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                  <bond atomRefs2="a22 a23" order="S"/>
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                  <bond atomRefs2="a29 a38" order="S"/>
                  <bond atomRefs2="a30 a40" order="S"/>
                  <bond atomRefs2="a30 a49" order="S"/>
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                  <bond atomRefs2="a30 a31" order="S"/>
                  <bond atomRefs2="a31 a41" order="S"/>
                  <bond atomRefs2="a31 a32" order="S"/>
                  <bond atomRefs2="a31 a40" order="S"/>
                  <bond atomRefs2="a32 a41" order="S"/>
                  <bond atomRefs2="a32 a33" order="S"/>
                  <bond atomRefs2="a32 a42" order="S"/>
                  <bond atomRefs2="a33 a42" order="S"/>
                  <bond atomRefs2="a33 a43" order="S"/>
                  <bond atomRefs2="a33 a34" order="S"/>
                  <bond atomRefs2="a34 a35" order="S"/>
                  <bond atomRefs2="a34 a43" order="S"/>
                  <bond atomRefs2="a34 a44" order="S"/>
                  <bond atomRefs2="a35 a44" order="S"/>
                  <bond atomRefs2="a35 a45" order="S"/>
                  <bond atomRefs2="a35 a36" order="S"/>
                  <bond atomRefs2="a36 a45" order="S"/>
                  <bond atomRefs2="a36 a46" order="S"/>
                  <bond atomRefs2="a36 a37" order="S"/>
                  <bond atomRefs2="a37 a47" order="S"/>
                  <bond atomRefs2="a37 a46" order="S"/>
                  <bond atomRefs2="a37 a38" order="S"/>
                  <bond atomRefs2="a38 a48" order="S"/>
                  <bond atomRefs2="a38 a39" order="S"/>
                  <bond atomRefs2="a38 a47" order="S"/>
                  <bond atomRefs2="a39 a48" order="S"/>
                  <bond atomRefs2="a39 a49" order="S"/>
                  <bond atomRefs2="a40 a41" order="S"/>
                  <bond atomRefs2="a40 a49" order="S"/>
                  <bond atomRefs2="a40 a54" order="S"/>
                  <bond atomRefs2="a40 a50" order="S"/>
                  <bond atomRefs2="a41 a42" order="S"/>
                  <bond atomRefs2="a41 a50" order="S"/>
                  <bond atomRefs2="a42 a43" order="S"/>
                  <bond atomRefs2="a42 a50" order="S"/>
                  <bond atomRefs2="a42 a51" order="S"/>
                  <bond atomRefs2="a43 a44" order="S"/>
                  <bond atomRefs2="a43 a51" order="S"/>
                  <bond atomRefs2="a44 a45" order="S"/>
                  <bond atomRefs2="a44 a51" order="S"/>
                  <bond atomRefs2="a44 a52" order="S"/>
                  <bond atomRefs2="a45 a46" order="S"/>
                  <bond atomRefs2="a45 a52" order="S"/>
                  <bond atomRefs2="a46 a47" order="S"/>
                  <bond atomRefs2="a46 a53" order="S"/>
                  <bond atomRefs2="a46 a52" order="S"/>
                  <bond atomRefs2="a47 a53" order="S"/>
                  <bond atomRefs2="a47 a48" order="S"/>
                  <bond atomRefs2="a48 a54" order="S"/>
                  <bond atomRefs2="a48 a49" order="S"/>
                  <bond atomRefs2="a48 a53" order="S"/>
                  <bond atomRefs2="a49 a54" order="S"/>
                  <bond atomRefs2="a50 a51" order="S"/>
                  <bond atomRefs2="a50 a55" order="S"/>
                  <bond atomRefs2="a50 a54" order="S"/>
                  <bond atomRefs2="a51 a55" order="S"/>
                  <bond atomRefs2="a51 a52" order="S"/>
                  <bond atomRefs2="a52 a55" order="S"/>
                  <bond atomRefs2="a52 a53" order="S"/>
                  <bond atomRefs2="a53 a55" order="S"/>
                  <bond atomRefs2="a53 a54" order="S"/>
                  <bond atomRefs2="a54 a55" order="S"/>
               </bondArray>
               <formula concise="Cu55">
                  <atomArray count="55" elementType="Cu"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">3495.029999999997</scalar>
               </property>
               <formula convention="iupac:inchi" inline="">
                  <scalar dataType="xsd:integer" id="auxInfo"/>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
