<?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:l="http://www.iochem-bd.org/dictionary/lammps/"
        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:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="lammps.log">
   <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" id="copy.0">LAMMPS</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.1">29 Sep 2021 - Update 3</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList/>
            <molecule id="initialization">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.174243</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.174243001281722</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">43.0</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="10.6093"
                        xFract="0.8022375"
                        y3="1.45954"
                        yFract="0.1384342"
                        z3="7.89602"
                        zFract="0.18362837"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.3037"
                        xFract="0.6125744"
                        y3="6.66159"
                        yFract="0.63183734"
                        z3="8.65912"
                        zFract="0.20137488"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="15.7666"
                        xFract="0.87523175"
                        y3="8.85306"
                        yFract="0.83969351"
                        z3="20.5099"
                        zFract="0.47697442"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="3.87172"
                        xFract="0.19701488"
                        y3="2.55168"
                        yFract="0.24202131"
                        z3="30.4921"
                        zFract="0.7091186"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="4.62977"
                        xFract="0.3318525"
                        y3="1.02142"
                        yFract="0.09687947"
                        z3="19.1032"
                        zFract="0.44426047"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="12.5651"
                        xFract="0.87299281"
                        y3="3.35511"
                        yFract="0.3182249"
                        z3="10.2130"
                        zFract="0.23751163"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="4.76619"
                        xFract="0.14497699"
                        y3="5.19824"
                        yFract="0.49304177"
                        z3="23.2629"
                        zFract="0.54099767"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="10.0641"
                        xFract="0.70534456"
                        y3="2.55835"
                        yFract="0.24265394"
                        z3="12.9198"
                        zFract="0.30046047"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="11.2646"
                        xFract="0.47613756"
                        y3="9.47083"
                        yFract="0.89828766"
                        z3="28.4132"
                        zFract="0.66077209"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="9.47383"
                        xFract="0.45931037"
                        y3="6.72395"
                        yFract="0.63775205"
                        z3="24.9973"
                        zFract="0.58133256"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="1.99401"
                        xFract="0.00098153"
                        y3="3.43303"
                        yFract="0.32561544"
                        z3="14.3248"
                        zFract="0.33313488"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.04292"
                        xFract="0.40655506"
                        y3="3.62591"
                        yFract="0.34390969"
                        z3="15.8654"
                        zFract="0.36896279"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="9.23201"
                        xFract="0.52934152"
                        y3="4.8284"
                        yFract="0.45796325"
                        z3="8.59966"
                        zFract="0.19999209"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="14.7976"
                        xFract="0.88937937"
                        y3="6.87638"
                        yFract="0.65220971"
                        z3="9.7836"
                        zFract="0.22752558"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="14.4622"
                        xFract="0.77528314"
                        y3="8.70133"
                        yFract="0.82530225"
                        z3="18.0775"
                        zFract="0.42040698"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="2.02965"
                        xFract="0.01225658"
                        y3="3.25701"
                        yFract="0.30892032"
                        z3="29.1106"
                        zFract="0.6769907"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.76471"
                        xFract="0.49619707"
                        y3="4.71791"
                        yFract="0.44748352"
                        z3="14.4943"
                        zFract="0.33707674"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="6.49944"
                        xFract="0.27366496"
                        y3="5.48675"
                        yFract="0.52040632"
                        z3="10.2955"
                        zFract="0.23943023"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.7396"
                        xFract="0.99841401"
                        y3="1.01267"
                        yFract="0.09604955"
                        z3="9.26744"
                        zFract="0.21552186"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.98757"
                        xFract="0.09988066"
                        y3="4.80055"
                        yFract="0.45532174"
                        z3="7.86519"
                        zFract="0.1829114"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.48494"
                        xFract="0.66101067"
                        y3="0.758007"
                        yFract="0.07189532"
                        z3="17.0445"
                        zFract="0.39638372"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.15228"
                        xFract="0.71786757"
                        y3="0.714966"
                        yFract="0.06781297"
                        z3="14.3452"
                        zFract="0.3336093"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="11.9335"
                        xFract="0.85871236"
                        y3="2.56227"
                        yFract="0.24302574"
                        z3="14.8801"
                        zFract="0.34604884"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="17.0648"
                        xFract="0.90935366"
                        y3="10.3821"
                        yFract="0.98471964"
                        z3="5.30057"
                        zFract="0.12326907"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="14.1167"
                        xFract="0.67591612"
                        y3="10.1982"
                        yFract="0.96727712"
                        z3="9.26755"
                        zFract="0.21552442"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.29947"
                        xFract="0.07525033"
                        y3="2.39604"
                        yFract="0.22725919"
                        z3="10.7787"
                        zFract="0.25066744"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="11.6934"
                        xFract="0.74193546"
                        y3="4.60881"
                        yFract="0.43713562"
                        z3="21.2417"
                        zFract="0.49399302"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="14.2880"
                        xFract="0.93961157"
                        y3="4.93451"
                        yFract="0.46802756"
                        z3="9.02735"
                        zFract="0.20993837"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="7.30446"
                        xFract="0.22998876"
                        y3="7.80206"
                        yFract="0.74000845"
                        z3="10.2817"
                        zFract="0.2391093"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.4430"
                        xFract="0.75967515"
                        y3="7.26514"
                        yFract="0.68908275"
                        z3="19.3887"
                        zFract="0.4509"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.91549"
                        xFract="0.12556473"
                        y3="5.86617"
                        yFract="0.55639348"
                        z3="5.51855"
                        zFract="0.12833837"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.24383"
                        xFract="0.16981321"
                        y3="5.50183"
                        yFract="0.52183663"
                        z3="25.6196"
                        zFract="0.59580465"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="15.0668"
                        xFract="0.9177753"
                        y3="6.74388"
                        yFract="0.63964237"
                        z3="27.0373"
                        zFract="0.62877442"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.71794"
                        xFract="0.4523898"
                        y3="5.56064"
                        yFract="0.52741463"
                        z3="19.5179"
                        zFract="0.45390465"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="12.4418"
                        xFract="0.93287204"
                        y3="1.87891"
                        yFract="0.17821053"
                        z3="21.3547"
                        zFract="0.49662093"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.7684"
                        xFract="0.81540069"
                        y3="10.1178"
                        yFract="0.95965135"
                        z3="26.2010"
                        zFract="0.60932558"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="3.28695"
                        xFract="0.02581971"
                        y3="5.14872"
                        yFract="0.48834491"
                        z3="11.5708"
                        zFract="0.26908837"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.90814"
                        xFract="0.31992762"
                        y3="0.022973"
                        yFract="0.00217894"
                        z3="24.3753"
                        zFract="0.56686744"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="12.0170"
                        xFract="0.65138954"
                        y3="7.07859"
                        yFract="0.67138889"
                        z3="26.4036"
                        zFract="0.61403721"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.85074"
                        xFract="0.28665634"
                        y3="9.28538"
                        yFract="0.88069813"
                        z3="11.6876"
                        zFract="0.27180465"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="7.19205"
                        xFract="0.17507899"
                        y3="8.76521"
                        yFract="0.83136113"
                        z3="13.9129"
                        zFract="0.32355581"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="10.7113"
                        xFract="0.70120604"
                        y3="3.7666"
                        yFract="0.35725383"
                        z3="23.6578"
                        zFract="0.5501814"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="3.24406"
                        xFract="0.0802895"
                        y3="3.92586"
                        yFract="0.37235929"
                        z3="27.0047"
                        zFract="0.62801628"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="4.9084"
                        xFract="0.33277543"
                        y3="1.48456"
                        yFract="0.14080729"
                        z3="21.6273"
                        zFract="0.50296047"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="12.1438"
                        xFract="0.91836786"
                        y3="1.6686"
                        yFract="0.15826309"
                        z3="12.0793"
                        zFract="0.28091395"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="9.47191"
                        xFract="0.28864711"
                        y3="10.3193"
                        yFract="0.97876319"
                        z3="30.5299"
                        zFract="0.70999767"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.84104"
                        xFract="0.23730726"
                        y3="3.38097"
                        yFract="0.32067766"
                        z3="20.4498"
                        zFract="0.47557674"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.6588"
                        xFract="0.95728891"
                        y3="0.00785"
                        yFract="0.00074456"
                        z3="14.3530"
                        zFract="0.3337907"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="11.0092"
                        xFract="0.52495214"
                        y3="7.99914"
                        yFract="0.75870106"
                        z3="30.8206"
                        zFract="0.71675814"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="13.5250"
                        xFract="0.85927951"
                        y3="5.30687"
                        yFract="0.50334509"
                        z3="30.2626"
                        zFract="0.7037814"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="11.4210"
                        xFract="0.81094813"
                        y3="2.68177"
                        yFract="0.25436006"
                        z3="28.4098"
                        zFract="0.66069302"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="2.69804"
                        xFract="0.09506468"
                        y3="2.66857"
                        yFract="0.25310807"
                        z3="8.47917"
                        zFract="0.19719"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="14.9748"
                        xFract="0.92060277"
                        y3="6.52491"
                        yFract="0.61887354"
                        z3="7.38375"
                        zFract="0.17171512"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="4.81314"
                        xFract="0.03596838"
                        y3="7.57816"
                        yFract="0.71877202"
                        z3="22.0398"
                        zFract="0.51255349"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="12.0872"
                        xFract="0.98107511"
                        y3="0.248295"
                        yFract="0.02355024"
                        z3="19.2430"
                        zFract="0.44751163"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="4.54708"
                        xFract="0.21476271"
                        y3="3.3472"
                        yFract="0.31747465"
                        z3="13.3897"
                        zFract="0.31138837"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.79132"
                        xFract="0.09738745"
                        y3="7.97731"
                        yFract="0.75663053"
                        z3="19.7550"
                        zFract="0.4594186"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="3.89085"
                        xFract="0.04261705"
                        y3="5.84051"
                        yFract="0.55395969"
                        z3="20.7641"
                        zFract="0.48288605"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="14.3043"
                        xFract="0.86968276"
                        y3="6.43729"
                        yFract="0.61056297"
                        z3="22.4314"
                        zFract="0.52166047"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="4.64821"
                        xFract="0.19692099"
                        y3="3.89858"
                        yFract="0.36977185"
                        z3="10.0299"
                        zFract="0.23325349"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="6.6684"
                        xFract="0.11901025"
                        y3="9.04051"
                        yFract="0.85747274"
                        z3="17.1007"
                        zFract="0.3976907"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="13.7481"
                        xFract="0.73155936"
                        y3="8.38645"
                        yFract="0.79543657"
                        z3="24.9614"
                        zFract="0.58049767"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="3.24471"
                        xFract="0.21937344"
                        y3="0.994205"
                        yFract="0.09429818"
                        z3="27.8701"
                        zFract="0.64814186"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="16.7913"
                        xFract="0.90881085"
                        y3="9.91983"
                        yFract="0.94087433"
                        z3="9.40278"
                        zFract="0.2186693"/>
                  <atom elementType="Cu"
                        id="a65"
                        x3="1.46834"
                        xFract="0.09635869"
                        y3="0.511381"
                        yFract="0.04850338"
                        z3="23.4533"
                        zFract="0.54542558"/>
                  <atom elementType="Cu"
                        id="a66"
                        x3="4.50405"
                        xFract="0.21870363"
                        y3="3.18957"
                        yFract="0.30252379"
                        z3="18.0826"
                        zFract="0.42052558"/>
                  <atom elementType="Cu"
                        id="a67"
                        x3="2.14142"
                        xFract="0.14483564"
                        y3="0.654985"
                        yFract="0.0621239"
                        z3="18.1632"
                        zFract="0.4224"/>
                  <atom elementType="Cu"
                        id="a68"
                        x3="6.39223"
                        xFract="0.50421724"
                        y3="0.439537"
                        yFract="0.04168913"
                        z3="29.5431"
                        zFract="0.68704884"/>
                  <atom elementType="Cu"
                        id="a69"
                        x3="11.0950"
                        xFract="0.47647162"
                        y3="9.17003"
                        yFract="0.86975743"
                        z3="18.9559"
                        zFract="0.44083488"/>
                  <atom elementType="Cu"
                        id="a70"
                        x3="15.7749"
                        xFract="0.8489018"
                        y3="9.42264"
                        yFract="0.89371694"
                        z3="23.5026"
                        zFract="0.54657209"/>
                  <atom elementType="Cu"
                        id="a71"
                        x3="13.2607"
                        xFract="0.85188038"
                        y3="5.00511"
                        yFract="0.47472381"
                        z3="27.3433"
                        zFract="0.6358907"/>
                  <atom elementType="Cu"
                        id="a72"
                        x3="5.00817"
                        xFract="0.07423292"
                        y3="7.1091"
                        yFract="0.67428269"
                        z3="11.1787"
                        zFract="0.25996977"/>
                  <atom elementType="Cu"
                        id="a73"
                        x3="2.22815"
                        xFract="0.07560459"
                        y3="2.26504"
                        yFract="0.21483412"
                        z3="16.7183"
                        zFract="0.38879767"/>
                  <atom elementType="Cu"
                        id="a74"
                        x3="14.0869"
                        xFract="0.89565978"
                        y3="5.51298"
                        yFract="0.52289418"
                        z3="25.0744"
                        zFract="0.58312558"/>
                  <atom elementType="Cu"
                        id="a75"
                        x3="7.15956"
                        xFract="0.22426307"
                        y3="7.67182"
                        yFract="0.72765546"
                        z3="25.9141"
                        zFract="0.60265349"/>
                  <atom elementType="Cu"
                        id="a76"
                        x3="6.55209"
                        xFract="0.27093536"
                        y3="5.6355"
                        yFract="0.53451493"
                        z3="20.6619"
                        zFract="0.4805093"/>
                  <atom elementType="Cu"
                        id="a77"
                        x3="9.09098"
                        xFract="0.51109891"
                        y3="4.9688"
                        yFract="0.47127989"
                        z3="17.1127"
                        zFract="0.39796977"/>
                  <atom elementType="Cu"
                        id="a78"
                        x3="9.76277"
                        xFract="0.46175739"
                        y3="7.17281"
                        yFract="0.68032545"
                        z3="18.1881"
                        zFract="0.42297907"/>
                  <atom elementType="Cu"
                        id="a79"
                        x3="12.1937"
                        xFract="0.68020163"
                        y3="6.7771"
                        yFract="0.64279322"
                        z3="16.8680"
                        zFract="0.39227907"/>
                  <atom elementType="Cu"
                        id="a80"
                        x3="8.15321"
                        xFract="0.24428082"
                        y3="8.97077"
                        yFract="0.85085805"
                        z3="19.3217"
                        zFract="0.44934186"/>
                  <atom elementType="Cu"
                        id="a81"
                        x3="6.42574"
                        xFract="0.49840724"
                        y3="0.62009"
                        yFract="0.05881419"
                        z3="23.9620"
                        zFract="0.55725581"/>
                  <atom elementType="Cu"
                        id="a82"
                        x3="10.0325"
                        xFract="0.36035161"
                        y3="9.77828"
                        yFract="0.92744862"
                        z3="21.0272"
                        zFract="0.48900465"/>
                  <atom elementType="Cu"
                        id="a83"
                        x3="12.9436"
                        xFract="0.65917505"
                        y3="8.51934"
                        yFract="0.8080409"
                        z3="21.4064"
                        zFract="0.49782326"/>
                  <atom elementType="Cu"
                        id="a84"
                        x3="11.3450"
                        xFract="0.70866159"
                        y3="4.70699"
                        yFract="0.44644778"
                        z3="13.7602"
                        zFract="0.32000465"/>
                  <atom elementType="Cu"
                        id="a85"
                        x3="12.0971"
                        xFract="0.72111015"
                        y3="5.74717"
                        yFract="0.54510659"
                        z3="23.4285"
                        zFract="0.54484884"/>
                  <atom elementType="Cu"
                        id="a86"
                        x3="14.3884"
                        xFract="0.80120717"
                        y3="8.02686"
                        yFract="0.76133024"
                        z3="15.9679"
                        zFract="0.37134651"/>
                  <atom elementType="Cu"
                        id="a87"
                        x3="5.95181"
                        xFract="0.01965714"
                        y3="9.89434"
                        yFract="0.93845666"
                        z3="7.38335"
                        zFract="0.17170581"/>
                  <atom elementType="Cu"
                        id="a88"
                        x3="14.1112"
                        xFract="0.93595108"
                        y3="4.70547"
                        yFract="0.44630361"
                        z3="5.40671"
                        zFract="0.12573744"/>
                  <atom elementType="Cu"
                        id="a89"
                        x3="9.94831"
                        xFract="0.78263291"
                        y3="0.728062"
                        yFract="0.0690551"
                        z3="19.9222"
                        zFract="0.46330698"/>
                  <atom elementType="Cu"
                        id="a90"
                        x3="7.81956"
                        xFract="0.56560158"
                        y3="1.61737"
                        yFract="0.15340403"
                        z3="6.58695"
                        zFract="0.15318488"/>
                  <atom elementType="Cu"
                        id="a91"
                        x3="7.37889"
                        xFract="0.22097047"
                        y3="8.12114"
                        yFract="0.77027249"
                        z3="21.5061"
                        zFract="0.50014186"/>
                  <atom elementType="Cu"
                        id="a92"
                        x3="7.78532"
                        xFract="0.14038764"
                        y3="10.5243"
                        yFract="0.998207"
                        z3="21.2244"
                        zFract="0.4935907"/>
                  <atom elementType="Cu"
                        id="a93"
                        x3="16.6024"
                        xFract="0.95015575"
                        y3="8.72083"
                        yFract="0.82715178"
                        z3="13.0182"
                        zFract="0.30274884"/>
                  <atom elementType="Cu"
                        id="a94"
                        x3="17.8571"
                        xFract="0.99691024"
                        y3="9.90815"
                        yFract="0.93976651"
                        z3="21.7757"
                        zFract="0.50641163"/>
                  <atom elementType="Cu"
                        id="a95"
                        x3="6.22495"
                        xFract="0.25372792"
                        y3="5.43172"
                        yFract="0.51518684"
                        z3="28.0330"
                        zFract="0.65193023"/>
                  <atom elementType="Cu"
                        id="a96"
                        x3="16.5529"
                        xFract="0.91089983"
                        y3="9.46286"
                        yFract="0.89753172"
                        z3="17.7879"
                        zFract="0.41367209"/>
                  <atom elementType="Cu"
                        id="a97"
                        x3="10.8857"
                        xFract="0.55014238"
                        y3="7.25406"
                        yFract="0.68803184"
                        z3="20.8396"
                        zFract="0.48464186"/>
                  <atom elementType="Cu"
                        id="a98"
                        x3="12.7399"
                        xFract="0.89860421"
                        y3="3.11782"
                        yFract="0.29571846"
                        z3="25.8108"
                        zFract="0.60025116"/>
                  <atom elementType="Cu"
                        id="a99"
                        x3="7.01391"
                        xFract="0.28028384"
                        y3="6.23827"
                        yFract="0.59168636"
                        z3="23.4819"
                        zFract="0.5460907"/>
                  <atom elementType="Cu"
                        id="a100"
                        x3="5.02595"
                        xFract="0.31965668"
                        y3="1.96479"
                        yFract="0.18635606"
                        z3="7.76716"
                        zFract="0.18063163"/>
                  <atom elementType="Cu"
                        id="a101"
                        x3="12.9564"
                        xFract="0.77053589"
                        y3="6.19331"
                        yFract="0.587422"
                        z3="14.6144"
                        zFract="0.33986977"/>
                  <atom elementType="Cu"
                        id="a102"
                        x3="15.6965"
                        xFract="0.8399082"
                        y3="9.47649"
                        yFract="0.89882449"
                        z3="7.36992"
                        zFract="0.17139349"/>
                  <atom elementType="Cu"
                        id="a103"
                        x3="7.19704"
                        xFract="0.40323793"
                        y3="3.9628"
                        yFract="0.37586297"
                        z3="22.0622"
                        zFract="0.51307442"/>
                  <atom elementType="Cu"
                        id="a104"
                        x3="9.39231"
                        xFract="0.75868766"
                        y3="0.269961"
                        yFract="0.02560521"
                        z3="28.7156"
                        zFract="0.66780465"/>
                  <atom elementType="Cu"
                        id="a105"
                        x3="11.4434"
                        xFract="0.73125215"
                        y3="4.40107"
                        yFract="0.41743193"
                        z3="16.2219"
                        zFract="0.37725349"/>
                  <atom elementType="Cu"
                        id="a106"
                        x3="10.4061"
                        xFract="0.50217633"
                        y3="7.4348"
                        yFract="0.70517463"
                        z3="6.1380"
                        zFract="0.14274419"/>
                  <atom elementType="Cu"
                        id="a107"
                        x3="7.82778"
                        xFract="0.62093288"
                        y3="0.464869"
                        yFract="0.04409181"
                        z3="21.6612"
                        zFract="0.50374884"/>
                  <atom elementType="Cu"
                        id="a108"
                        x3="13.4995"
                        xFract="0.61096804"
                        y3="10.4987"
                        yFract="0.99577889"
                        z3="26.6973"
                        zFract="0.62086744"/>
                  <atom elementType="Cu"
                        id="a109"
                        x3="14.0372"
                        xFract="0.78664441"
                        y3="7.72564"
                        yFract="0.73276017"
                        z3="12.2139"
                        zFract="0.28404419"/>
                  <atom elementType="Cu"
                        id="a110"
                        x3="12.7798"
                        xFract="0.67968685"
                        y3="7.80311"
                        yFract="0.74010804"
                        z3="6.8924"
                        zFract="0.16028837"/>
                  <atom elementType="Cu"
                        id="a111"
                        x3="6.63279"
                        xFract="0.34574641"
                        y3="4.19778"
                        yFract="0.39815032"
                        z3="6.50453"
                        zFract="0.15126814"/>
                  <atom elementType="Cu"
                        id="a112"
                        x3="1.1927"
                        xFract="0.03844216"
                        y3="1.25521"
                        yFract="0.11905394"
                        z3="5.78795"
                        zFract="0.13460349"/>
                  <atom elementType="Cu"
                        id="a113"
                        x3="6.10686"
                        xFract="0.0878131"
                        y3="8.72573"
                        yFract="0.82761654"
                        z3="24.0023"
                        zFract="0.55819302"/>
                  <atom elementType="Cu"
                        id="a114"
                        x3="6.48655"
                        xFract="0.44019895"
                        y3="1.95282"
                        yFract="0.18522074"
                        z3="17.5640"
                        zFract="0.40846512"/>
                  <atom elementType="Cu"
                        id="a115"
                        x3="8.62181"
                        xFract="0.55866574"
                        y3="3.15316"
                        yFract="0.29907038"
                        z3="18.3110"
                        zFract="0.42583721"/>
                  <atom elementType="Cu"
                        id="a116"
                        x3="10.2567"
                        xFract="0.53022812"
                        y3="6.58452"
                        yFract="0.62452742"
                        z3="15.4868"
                        zFract="0.36015814"/>
                  <atom elementType="Cu"
                        id="a117"
                        x3="1.9268"
                        xFract="0.15501946"
                        y3="0.068512"
                        yFract="0.00649821"
                        z3="25.8631"
                        zFract="0.60146744"/>
                  <atom elementType="Cu"
                        id="a118"
                        x3="8.05519"
                        xFract="0.32170056"
                        y3="7.16849"
                        yFract="0.67991571"
                        z3="16.0514"
                        zFract="0.37328837"/>
                  <atom elementType="Cu"
                        id="a119"
                        x3="7.96826"
                        xFract="0.39681211"
                        y3="5.43409"
                        yFract="0.51541163"
                        z3="26.6602"
                        zFract="0.62000465"/>
                  <atom elementType="Cu"
                        id="a120"
                        x3="8.40968"
                        xFract="0.30921312"
                        y3="8.0458"
                        yFract="0.76312665"
                        z3="7.82236"
                        zFract="0.18191535"/>
                  <atom elementType="Cu"
                        id="a121"
                        x3="11.7210"
                        xFract="0.95933476"
                        y3="0.072444"
                        yFract="0.00687116"
                        z3="27.6004"
                        zFract="0.64186977"/>
                  <atom elementType="Cu"
                        id="a122"
                        x3="6.57585"
                        xFract="0.30597895"
                        y3="4.93771"
                        yFract="0.46833107"
                        z3="12.6658"
                        zFract="0.29455349"/>
                  <atom elementType="Cu"
                        id="a123"
                        x3="8.81123"
                        xFract="0.28598656"
                        y3="9.23107"
                        yFract="0.87554694"
                        z3="27.8135"
                        zFract="0.64682558"/>
                  <atom elementType="Cu"
                        id="a124"
                        x3="11.4408"
                        xFract="0.65874083"
                        y3="5.92557"
                        yFract="0.56202744"
                        z3="11.2982"
                        zFract="0.26274884"/>
                  <atom elementType="Cu"
                        id="a125"
                        x3="11.1697"
                        xFract="0.67637261"
                        y3="5.08422"
                        yFract="0.48222722"
                        z3="18.3520"
                        zFract="0.4267907"/>
                  <atom elementType="Cu"
                        id="a126"
                        x3="8.79231"
                        xFract="0.61193534"
                        y3="2.32521"
                        yFract="0.22054112"
                        z3="24.1161"
                        zFract="0.56083953"/>
                  <atom elementType="Cu"
                        id="a127"
                        x3="12.3881"
                        xFract="0.86203347"
                        y3="3.27963"
                        yFract="0.31106578"
                        z3="7.68545"
                        zFract="0.1787314"/>
                  <atom elementType="Cu"
                        id="a128"
                        x3="11.5092"
                        xFract="0.5446466"
                        y3="8.44988"
                        yFract="0.80145277"
                        z3="23.3531"
                        zFract="0.54309535"/>
                  <atom elementType="Cu"
                        id="a129"
                        x3="7.6739"
                        xFract="0.5287712"
                        y3="2.1417"
                        yFract="0.20313559"
                        z3="13.1611"
                        zFract="0.30607209"/>
                  <atom elementType="Cu"
                        id="a130"
                        x3="5.15972"
                        xFract="0.39330366"
                        y3="0.643536"
                        yFract="0.06103799"
                        z3="26.2946"
                        zFract="0.61150233"/>
                  <atom elementType="Cu"
                        id="a131"
                        x3="11.7205"
                        xFract="0.55341112"
                        y3="8.63105"
                        yFract="0.81863635"
                        z3="15.2049"
                        zFract="0.35360233"/>
                  <atom elementType="Cu"
                        id="a132"
                        x3="4.96931"
                        xFract="0.03457669"
                        y3="7.8780"
                        yFract="0.74721119"
                        z3="16.0340"
                        zFract="0.37288372"/>
                  <atom elementType="Cu"
                        id="a133"
                        x3="12.0901"
                        xFract="0.94412325"
                        y3="1.0325"
                        yFract="0.09793038"
                        z3="16.7278"
                        zFract="0.3890186"/>
                  <atom elementType="Cu"
                        id="a134"
                        x3="9.28726"
                        xFract="0.32256264"
                        y3="9.28432"
                        yFract="0.88059759"
                        z3="16.9003"
                        zFract="0.39303023"/>
                  <atom elementType="Cu"
                        id="a135"
                        x3="13.3449"
                        xFract="0.70575065"
                        y3="8.2323"
                        yFract="0.78081577"
                        z3="29.4475"
                        zFract="0.68482558"/>
                  <atom elementType="Cu"
                        id="a136"
                        x3="2.77654"
                        xFract="0.04417911"
                        y3="3.87753"
                        yFract="0.3677753"
                        z3="21.8643"
                        zFract="0.50847209"/>
                  <atom elementType="Cu"
                        id="a137"
                        x3="10.7679"
                        xFract="0.84418847"
                        y3="0.849648"
                        yFract="0.08058727"
                        z3="24.1652"
                        zFract="0.5619814"/>
                  <atom elementType="Cu"
                        id="a138"
                        x3="8.99729"
                        xFract="0.47168035"
                        y3="5.63772"
                        yFract="0.5347255"
                        z3="22.2442"
                        zFract="0.51730698"/>
                  <atom elementType="Cu"
                        id="a139"
                        x3="1.65449"
                        xFract="0.12462492"
                        y3="0.237769"
                        yFract="0.02255187"
                        z3="15.5220"
                        zFract="0.36097674"/>
                  <atom elementType="Cu"
                        id="a140"
                        x3="11.2528"
                        xFract="0.68807747"
                        y3="4.98134"
                        yFract="0.47246928"
                        z3="25.7135"
                        zFract="0.59798837"/>
                  <atom elementType="Cu"
                        id="a141"
                        x3="12.1957"
                        xFract="0.58169667"
                        y3="8.85768"
                        yFract="0.84013171"
                        z3="4.35536"
                        zFract="0.10128744"/>
                  <atom elementType="Cu"
                        id="a142"
                        x3="11.7118"
                        xFract="0.54832923"
                        y3="8.72314"
                        yFract="0.82737088"
                        z3="10.1497"
                        zFract="0.23603953"/>
                  <atom elementType="Cu"
                        id="a143"
                        x3="9.80407"
                        xFract="0.36395049"
                        y3="9.30674"
                        yFract="0.88272408"
                        z3="9.02778"
                        zFract="0.20994837"/>
                  <atom elementType="Cu"
                        id="a144"
                        x3="12.5850"
                        xFract="0.89867465"
                        y3="2.84804"
                        yFract="0.27013041"
                        z3="18.4153"
                        zFract="0.42826279"/>
                  <atom elementType="Cu"
                        id="a145"
                        x3="10.2928"
                        xFract="0.70931442"
                        y3="2.87076"
                        yFract="0.27228535"
                        z3="26.1774"
                        zFract="0.60877674"/>
                  <atom elementType="Cu"
                        id="a146"
                        x3="4.43986"
                        xFract="0.29993081"
                        y3="1.3656"
                        yFract="0.12952419"
                        z3="16.5093"
                        zFract="0.38393721"/>
                  <atom elementType="Cu"
                        id="a147"
                        x3="6.98524"
                        xFract="0.42382568"
                        y3="3.16183"
                        yFract="0.29989271"
                        z3="26.4270"
                        zFract="0.6145814"/>
                  <atom elementType="Cu"
                        id="a148"
                        x3="8.09127"
                        xFract="0.43977293"
                        y3="4.74126"
                        yFract="0.44969821"
                        z3="24.3914"
                        zFract="0.56724186"/>
                  <atom elementType="Cu"
                        id="a149"
                        x3="5.71384"
                        xFract="0.15401637"
                        y3="6.64901"
                        yFract="0.63064416"
                        z3="8.2398"
                        zFract="0.19162326"/>
                  <atom elementType="Cu"
                        id="a150"
                        x3="8.29129"
                        xFract="0.39874958"
                        y3="5.95274"
                        yFract="0.56460446"
                        z3="6.55188"
                        zFract="0.1523693"/>
                  <atom elementType="Cu"
                        id="a151"
                        x3="14.4572"
                        xFract="0.86229889"
                        y3="6.85782"
                        yFract="0.65044933"
                        z3="4.26387"
                        zFract="0.09915977"/>
                  <atom elementType="Cu"
                        id="a152"
                        x3="11.9446"
                        xFract="0.51224587"
                        y3="9.88723"
                        yFract="0.93778229"
                        z3="7.73886"
                        zFract="0.17997349"/>
                  <atom elementType="Cu"
                        id="a153"
                        x3="13.1397"
                        xFract="0.59247784"
                        y3="10.2654"
                        yFract="0.97365089"
                        z3="19.4283"
                        zFract="0.45182093"/>
                  <atom elementType="Cu"
                        id="a154"
                        x3="13.1946"
                        xFract="0.60577027"
                        y3="10.0802"
                        yFract="0.95608508"
                        z3="11.6023"
                        zFract="0.26982093"/>
                  <atom elementType="Cu"
                        id="a155"
                        x3="3.43232"
                        xFract="0.11580697"
                        y3="3.5030"
                        yFract="0.33225194"
                        z3="24.5968"
                        zFract="0.5720186"/>
                  <atom elementType="Cu"
                        id="a156"
                        x3="13.2407"
                        xFract="0.924382"
                        y3="3.44167"
                        yFract="0.32643492"
                        z3="23.3585"
                        zFract="0.54322093"/>
                  <atom elementType="Cu"
                        id="a157"
                        x3="15.7592"
                        xFract="0.95779406"
                        y3="7.0993"
                        yFract="0.67335319"
                        z3="24.4431"
                        zFract="0.56844419"/>
                  <atom elementType="Cu"
                        id="a158"
                        x3="3.76824"
                        xFract="0.0000974"
                        y3="6.52473"
                        yFract="0.61885647"
                        z3="14.0917"
                        zFract="0.32771395"/>
                  <atom elementType="Cu"
                        id="a159"
                        x3="2.11975"
                        xFract="0.11478413"
                        y3="1.25113"
                        yFract="0.11866696"
                        z3="13.1587"
                        zFract="0.30601628"/>
                  <atom elementType="Cu"
                        id="a160"
                        x3="11.7032"
                        xFract="0.68316368"
                        y3="5.86507"
                        yFract="0.55628915"
                        z3="28.7806"
                        zFract="0.66931628"/>
                  <atom elementType="Cu"
                        id="a161"
                        x3="5.8743"
                        xFract="0.32629866"
                        y3="3.29412"
                        yFract="0.31244013"
                        z3="23.8420"
                        zFract="0.55446512"/>
                  <atom elementType="Cu"
                        id="a162"
                        x3="6.22362"
                        xFract="0.22806098"
                        y3="5.97064"
                        yFract="0.56630224"
                        z3="15.4277"
                        zFract="0.35878372"/>
                  <atom elementType="Cu"
                        id="a163"
                        x3="9.59961"
                        xFract="0.77640088"
                        y3="0.255507"
                        yFract="0.02423428"
                        z3="12.1003"
                        zFract="0.28140233"/>
                  <atom elementType="Cu"
                        id="a164"
                        x3="7.29034"
                        xFract="0.27763193"
                        y3="6.77298"
                        yFract="0.64240244"
                        z3="18.0210"
                        zFract="0.41909302"/>
                  <atom elementType="Cu"
                        id="a165"
                        x3="9.08691"
                        xFract="0.50517758"
                        y3="5.08661"
                        yFract="0.48245391"
                        z3="11.1829"
                        zFract="0.26006744"/>
                  <atom elementType="Cu"
                        id="a166"
                        x3="9.46593"
                        xFract="0.64994011"
                        y3="2.69057"
                        yFract="0.25519472"
                        z3="15.7659"
                        zFract="0.36664884"/>
                  <atom elementType="Cu"
                        id="a167"
                        x3="9.85833"
                        xFract="0.70558528"
                        y3="2.19687"
                        yFract="0.20836835"
                        z3="22.0225"
                        zFract="0.51215116"/>
                  <atom elementType="Cu"
                        id="a168"
                        x3="14.1837"
                        xFract="0.93379632"
                        y3="4.87648"
                        yFract="0.46252354"
                        z3="16.4220"
                        zFract="0.38190698"/>
                  <atom elementType="Cu"
                        id="a169"
                        x3="10.5549"
                        xFract="0.50101156"
                        y3="7.71709"
                        yFract="0.73194923"
                        z3="12.9042"
                        zFract="0.30009767"/>
                  <atom elementType="Cu"
                        id="a170"
                        x3="7.02855"
                        xFract="0.47081021"
                        y3="2.24611"
                        yFract="0.21303866"
                        z3="20.3758"
                        zFract="0.47385581"/>
                  <atom elementType="Cu"
                        id="a171"
                        x3="6.70645"
                        xFract="0.41429354"
                        y3="2.87995"
                        yFract="0.273157"
                        z3="11.0856"
                        zFract="0.25780465"/>
                  <atom elementType="Cu"
                        id="a172"
                        x3="6.01321"
                        xFract="0.45400116"
                        y3="0.841932"
                        yFract="0.07985542"
                        z3="9.92277"
                        zFract="0.23076209"/>
                  <atom elementType="Cu"
                        id="a173"
                        x3="8.63988"
                        xFract="0.26339537"
                        y3="9.41065"
                        yFract="0.89257971"
                        z3="5.32197"
                        zFract="0.12376674"/>
                  <atom elementType="Cu"
                        id="a174"
                        x3="8.12653"
                        xFract="0.33368148"
                        y3="7.03942"
                        yFract="0.6676737"
                        z3="12.2379"
                        zFract="0.28460233"/>
                  <atom elementType="Cu"
                        id="a175"
                        x3="14.5364"
                        xFract="0.72707333"
                        y3="9.84642"
                        yFract="0.93391155"
                        z3="4.8445"
                        zFract="0.11266279"/>
                  <atom elementType="Cu"
                        id="a176"
                        x3="12.2799"
                        xFract="0.53005766"
                        y3="10.0924"
                        yFract="0.95724222"
                        z3="17.3344"
                        zFract="0.40312558"/>
                  <atom elementType="Cu"
                        id="a177"
                        x3="7.06642"
                        xFract="0.4217228"
                        y3="3.34678"
                        yFract="0.31743481"
                        z3="8.72979"
                        zFract="0.20301837"/>
                  <atom elementType="Cu"
                        id="a178"
                        x3="14.0895"
                        xFract="0.92498594"
                        y3="4.8991"
                        yFract="0.46466899"
                        z3="19.8555"
                        zFract="0.46175581"/>
                  <atom elementType="Cu"
                        id="a179"
                        x3="8.54068"
                        xFract="0.28546696"
                        y3="8.77342"
                        yFract="0.83213983"
                        z3="23.6223"
                        zFract="0.54935581"/>
                  <atom elementType="Cu"
                        id="a180"
                        x3="9.79838"
                        xFract="0.46908573"
                        y3="7.07996"
                        yFract="0.67151883"
                        z3="27.4736"
                        zFract="0.63892093"/>
                  <atom elementType="Cu"
                        id="a181"
                        x3="2.88559"
                        xFract="0.14128242"
                        y3="2.01885"
                        yFract="0.19148354"
                        z3="20.1079"
                        zFract="0.46762558"/>
                  <atom elementType="Cu"
                        id="a182"
                        x3="4.84301"
                        xFract="0.34861602"
                        y3="1.03728"
                        yFract="0.09838376"
                        z3="11.9510"
                        zFract="0.27793023"/>
                  <atom elementType="Cu"
                        id="a183"
                        x3="9.9226"
                        xFract="0.70937298"
                        y3="2.22832"
                        yFract="0.21135131"
                        z3="10.6200"
                        zFract="0.24697674"/>
                  <atom elementType="Cu"
                        id="a184"
                        x3="9.44591"
                        xFract="0.43504124"
                        y3="7.18734"
                        yFract="0.68170359"
                        z3="9.95414"
                        zFract="0.23149163"/>
                  <atom elementType="Cu"
                        id="a185"
                        x3="15.7925"
                        xFract="0.99472056"
                        y3="6.37833"
                        yFract="0.60497075"
                        z3="17.7150"
                        zFract="0.41197674"/>
                  <atom elementType="Cu"
                        id="a186"
                        x3="6.47257"
                        xFract="0.31463637"
                        y3="4.57627"
                        yFract="0.43404927"
                        z3="18.5111"
                        zFract="0.4304907"/>
                  <atom elementType="Cu"
                        id="a187"
                        x3="9.73077"
                        xFract="0.3278467"
                        y3="9.94108"
                        yFract="0.94288985"
                        z3="14.5922"
                        zFract="0.33935349"/>
                  <atom elementType="Cu"
                        id="a188"
                        x3="6.70048"
                        xFract="0.50915946"
                        y3="0.869228"
                        yFract="0.08244439"
                        z3="14.8708"
                        zFract="0.34583256"/>
                  <atom elementType="Cu"
                        id="a189"
                        x3="4.21394"
                        xFract="0.15793248"
                        y3="3.96853"
                        yFract="0.37640645"
                        z3="15.8669"
                        zFract="0.36899767"/>
                  <atom elementType="Cu"
                        id="a190"
                        x3="10.2706"
                        xFract="0.41471275"
                        y3="9.0444"
                        yFract="0.8578417"
                        z3="25.9074"
                        zFract="0.60249767"/>
                  <atom elementType="Cu"
                        id="a191"
                        x3="8.44421"
                        xFract="0.33668"
                        y3="7.52643"
                        yFract="0.71386554"
                        z3="29.4676"
                        zFract="0.68529302"/>
                  <atom elementType="Cu"
                        id="a192"
                        x3="6.60233"
                        xFract="0.07182504"
                        y3="9.92104"
                        yFract="0.9409891"
                        z3="11.7461"
                        zFract="0.27316512"/>
                  <atom elementType="O"
                        id="a193"
                        x3="14.2661"
                        xFract="0.8209654"
                        y3="7.3984"
                        yFract="0.70172217"
                        z3="14.1243"
                        zFract="0.32847209"/>
                  <atom elementType="O"
                        id="a194"
                        x3="13.3248"
                        xFract="0.66610264"
                        y3="9.03352"
                        yFract="0.85680975"
                        z3="23.2028"
                        zFract="0.5396"/>
                  <atom elementType="O"
                        id="a195"
                        x3="13.7721"
                        xFract="0.65792327"
                        y3="9.98074"
                        yFract="0.94665151"
                        z3="28.6154"
                        zFract="0.66547442"/>
                  <atom elementType="O"
                        id="a196"
                        x3="4.0936"
                        xFract="0.06921064"
                        y3="5.63092"
                        yFract="0.53408053"
                        z3="27.5364"
                        zFract="0.6403814"/>
                  <atom elementType="O"
                        id="a197"
                        x3="16.2355"
                        xFract="0.87971182"
                        y3="9.57075"
                        yFract="0.90776485"
                        z3="14.6200"
                        zFract="0.3400"/>
                  <atom elementType="O"
                        id="a198"
                        x3="11.3550"
                        xFract="0.71980907"
                        y3="4.48925"
                        yFract="0.42579561"
                        z3="27.8259"
                        zFract="0.64711395"/>
                  <atom elementType="O"
                        id="a199"
                        x3="5.46435"
                        xFract="0.15678358"
                        y3="6.15853"
                        yFract="0.58412319"
                        z3="13.6580"
                        zFract="0.31762791"/>
                  <atom elementType="O"
                        id="a200"
                        x3="16.7295"
                        xFract="0.95791448"
                        y3="8.77737"
                        yFract="0.83251448"
                        z3="25.1241"
                        zFract="0.5842814"/>
                  <atom elementType="O"
                        id="a201"
                        x3="10.7293"
                        xFract="0.84486416"
                        y3="0.768543"
                        yFract="0.07289463"
                        z3="18.1185"
                        zFract="0.42136047"/>
                  <atom elementType="O"
                        id="a202"
                        x3="13.6111"
                        xFract="0.6716667"
                        y3="9.41208"
                        yFract="0.89271535"
                        z3="7.53591"
                        zFract="0.17525372"/>
                  <atom elementType="O"
                        id="a203"
                        x3="10.6459"
                        xFract="0.42361416"
                        y3="9.50674"
                        yFract="0.90169364"
                        z3="12.8686"
                        zFract="0.29926977"/>
                  <atom elementType="O"
                        id="a204"
                        x3="13.6524"
                        xFract="0.74752806"
                        y3="7.88397"
                        yFract="0.74777743"
                        z3="26.9004"
                        zFract="0.6255907"/>
                  <atom elementType="O"
                        id="a205"
                        x3="1.90878"
                        xFract="0.03931273"
                        y3="2.47714"
                        yFract="0.23495135"
                        z3="27.2279"
                        zFract="0.63320698"/>
                  <atom elementType="O"
                        id="a206"
                        x3="5.09548"
                        xFract="0.29515699"
                        y3="2.60183"
                        yFract="0.24677792"
                        z3="25.6635"
                        zFract="0.59682558"/>
                  <atom elementType="O"
                        id="a207"
                        x3="3.11606"
                        xFract="0.22739181"
                        y3="0.602298"
                        yFract="0.05712666"
                        z3="11.3403"
                        zFract="0.26372791"/>
                  <atom elementType="O"
                        id="a208"
                        x3="9.47818"
                        xFract="0.38859252"
                        y3="8.22267"
                        yFract="0.77990239"
                        z3="21.9197"
                        zFract="0.50976047"/>
                  <atom elementType="O"
                        id="a209"
                        x3="9.05794"
                        xFract="0.63044701"
                        y3="2.39495"
                        yFract="0.22715581"
                        z3="19.9356"
                        zFract="0.4636186"/>
                  <atom elementType="O"
                        id="a210"
                        x3="13.8961"
                        xFract="0.74039507"
                        y3="8.45648"
                        yFract="0.80207876"
                        z3="3.93459"
                        zFract="0.09150209"/>
                  <atom elementType="O"
                        id="a211"
                        x3="7.93175"
                        xFract="0.35826704"
                        y3="6.18363"
                        yFract="0.58650387"
                        z3="28.3661"
                        zFract="0.65967674"/>
                  <atom elementType="O"
                        id="a212"
                        x3="8.17931"
                        xFract="0.49065973"
                        y3="3.82073"
                        yFract="0.36238794"
                        z3="12.5925"
                        zFract="0.29284884"/>
                  <atom elementType="O"
                        id="a213"
                        x3="8.38897"
                        xFract="0.65371612"
                        y3="0.745598"
                        yFract="0.07071835"
                        z3="10.6512"
                        zFract="0.24770233"/>
                  <atom elementType="O"
                        id="a214"
                        x3="4.21753"
                        xFract="0.33389297"
                        y3="0.264373"
                        yFract="0.0250752"
                        z3="8.01798"
                        zFract="0.18646465"/>
                  <atom elementType="O"
                        id="a215"
                        x3="9.12667"
                        xFract="0.34727049"
                        y3="8.48517"
                        yFract="0.80479995"
                        z3="30.9532"
                        zFract="0.71984186"/>
                  <atom elementType="O"
                        id="a216"
                        x3="5.29136"
                        xFract="0.18201464"
                        y3="5.32687"
                        yFract="0.50524205"
                        z3="17.0401"
                        zFract="0.3962814"/>
                  <atom elementType="O"
                        id="a217"
                        x3="6.70628"
                        xFract="0.07311908"
                        y3="10.0738"
                        yFract="0.95547805"
                        z3="5.58506"
                        zFract="0.12988512"/>
                  <atom elementType="O"
                        id="a218"
                        x3="6.82798"
                        xFract="0.11248286"
                        y3="9.45455"
                        yFract="0.89674353"
                        z3="26.5592"
                        zFract="0.61765581"/>
                  <atom elementType="O"
                        id="a219"
                        x3="5.46075"
                        xFract="0.31880854"
                        y3="2.73577"
                        yFract="0.25948184"
                        z3="15.0324"
                        zFract="0.3495907"/>
                  <atom elementType="O"
                        id="a220"
                        x3="4.86475"
                        xFract="0.3485399"
                        y3="1.07654"
                        yFract="0.10210748"
                        z3="30.4686"
                        zFract="0.70857209"/>
                  <atom elementType="O"
                        id="a221"
                        x3="10.2381"
                        xFract="0.56283841"
                        y3="5.86467"
                        yFract="0.55625121"
                        z3="12.8274"
                        zFract="0.29831163"/>
                  <atom elementType="O"
                        id="a222"
                        x3="13.1440"
                        xFract="0.93249152"
                        y3="3.10318"
                        yFract="0.29432988"
                        z3="5.80358"
                        zFract="0.13496698"/>
                  <atom elementType="O"
                        id="a223"
                        x3="10.9907"
                        xFract="0.85060962"
                        y3="1.10015"
                        yFract="0.10434684"
                        z3="29.0789"
                        zFract="0.67625349"/>
                  <atom elementType="O"
                        id="a224"
                        x3="6.92454"
                        xFract="0.11628942"
                        y3="9.54153"
                        yFract="0.9049934"
                        z3="9.33181"
                        zFract="0.21701884"/>
                  <atom elementType="O"
                        id="a225"
                        x3="10.0481"
                        xFract="0.55344944"
                        y3="5.73356"
                        yFract="0.54381571"
                        z3="7.21528"
                        zFract="0.16779721"/>
                  <atom elementType="O"
                        id="a226"
                        x3="10.4831"
                        xFract="0.43668713"
                        y3="8.9491"
                        yFract="0.8488027"
                        z3="5.16475"
                        zFract="0.12011047"/>
                  <atom elementType="O"
                        id="a227"
                        x3="13.2750"
                        xFract="0.93405929"
                        y3="3.29702"
                        yFract="0.31271519"
                        z3="20.1703"
                        zFract="0.46907674"/>
                  <atom elementType="O"
                        id="a228"
                        x3="6.52877"
                        xFract="0.49789911"
                        y3="0.809258"
                        yFract="0.07675636"
                        z3="12.8330"
                        zFract="0.29844186"/>
                  <atom elementType="O"
                        id="a229"
                        x3="3.40197"
                        xFract="0.01676509"
                        y3="5.53887"
                        yFract="0.52534979"
                        z3="4.62572"
                        zFract="0.10757488"/>
                  <atom elementType="O"
                        id="a230"
                        x3="8.05791"
                        xFract="0.33135376"
                        y3="6.96965"
                        yFract="0.66105616"
                        z3="14.1698"
                        zFract="0.32953023"/>
                  <atom elementType="O"
                        id="a231"
                        x3="9.34637"
                        xFract="0.7416599"
                        y3="0.549445"
                        yFract="0.05211366"
                        z3="5.75567"
                        zFract="0.13385279"/>
                  <atom elementType="O"
                        id="a232"
                        x3="2.8225"
                        xFract="0.0371682"
                        y3="4.10497"
                        yFract="0.38934749"
                        z3="30.6207"
                        zFract="0.7121093"/>
                  <atom elementType="O"
                        id="a233"
                        x3="2.36147"
                        xFract="0.01424408"
                        y3="3.78983"
                        yFract="0.35945714"
                        z3="12.2999"
                        zFract="0.28604419"/>
                  <atom elementType="O"
                        id="a234"
                        x3="13.6260"
                        xFract="0.71330952"
                        y3="8.55979"
                        yFract="0.81187749"
                        z3="10.4739"
                        zFract="0.24357907"/>
                  <atom elementType="O"
                        id="a235"
                        x3="11.0344"
                        xFract="0.76072047"
                        y3="3.07128"
                        yFract="0.29130424"
                        z3="9.15749"
                        zFract="0.21296488"/>
                  <atom elementType="O"
                        id="a236"
                        x3="11.6834"
                        xFract="0.79638235"
                        y3="3.4434"
                        yFract="0.32659901"
                        z3="11.9377"
                        zFract="0.27762093"/>
                  <atom elementType="O"
                        id="a237"
                        x3="13.6196"
                        xFract="0.84437948"
                        y3="5.78491"
                        yFract="0.54868615"
                        z3="17.9648"
                        zFract="0.41778605"/>
                  <atom elementType="O"
                        id="a238"
                        x3="13.1927"
                        xFract="0.62926593"
                        y3="9.58147"
                        yFract="0.90878162"
                        z3="15.6722"
                        zFract="0.36446977"/>
                  <atom elementType="O"
                        id="a239"
                        x3="6.50426"
                        xFract="0.25091801"
                        y3="5.97475"
                        yFract="0.56669206"
                        z3="6.37095"
                        zFract="0.14816163"/>
                  <atom elementType="O"
                        id="a240"
                        x3="8.19048"
                        xFract="0.63746907"
                        y3="0.744395"
                        yFract="0.07060425"
                        z3="25.2417"
                        zFract="0.58701628"/>
                  <atom elementType="O"
                        id="a241"
                        x3="13.4021"
                        xFract="0.81337984"
                        y3="6.06186"
                        yFract="0.57495425"
                        z3="6.78404"
                        zFract="0.15776837"/>
                  <atom elementType="O"
                        id="a242"
                        x3="10.6787"
                        xFract="0.61982685"
                        y3="5.42613"
                        yFract="0.51465665"
                        z3="20.1243"
                        zFract="0.46800698"/>
                  <atom elementType="O"
                        id="a243"
                        x3="12.2779"
                        xFract="0.69157856"
                        y3="6.68304"
                        yFract="0.63387183"
                        z3="30.4607"
                        zFract="0.70838837"/>
                  <atom elementType="O"
                        id="a244"
                        x3="16.7402"
                        xFract="0.94292487"
                        y3="9.11198"
                        yFract="0.86425151"
                        z3="11.1545"
                        zFract="0.25940698"/>
                  <atom elementType="O"
                        id="a245"
                        x3="5.05887"
                        xFract="0.41393376"
                        y3="0.033844"
                        yFract="0.00321003"
                        z3="22.8083"
                        zFract="0.53042558"/>
                  <atom elementType="O"
                        id="a246"
                        x3="12.6358"
                        xFract="0.77692837"
                        y3="5.50322"
                        yFract="0.52196846"
                        z3="9.91082"
                        zFract="0.23048419"/>
                  <atom elementType="O"
                        id="a247"
                        x3="8.72265"
                        xFract="0.54854073"
                        y3="3.54132"
                        yFract="0.33588651"
                        z3="26.5284"
                        zFract="0.61693953"/>
                  <atom elementType="O"
                        id="a248"
                        x3="6.22595"
                        xFract="0.39339143"
                        y3="2.48845"
                        yFract="0.23602408"
                        z3="6.23683"
                        zFract="0.14504256"/>
                  <atom elementType="O"
                        id="a249"
                        x3="8.51336"
                        xFract="0.52061085"
                        y3="3.76776"
                        yFract="0.35736385"
                        z3="9.92201"
                        zFract="0.23074442"/>
                  <atom elementType="O"
                        id="a250"
                        x3="16.3843"
                        xFract="0.98507206"
                        y3="7.60681"
                        yFract="0.72148941"
                        z3="8.04109"
                        zFract="0.18700209"/>
                  <atom elementType="O"
                        id="a251"
                        x3="12.5311"
                        xFract="0.95298036"
                        y3="1.60957"
                        yFract="0.15266422"
                        z3="24.6994"
                        zFract="0.57440465"/>
                  <atom elementType="O"
                        id="a252"
                        x3="4.10841"
                        xFract="0.1080822"
                        y3="4.83691"
                        yFract="0.45877041"
                        z3="19.1468"
                        zFract="0.44527442"/>
               </atomArray>
               <bondArray/>
               <formula concise="Cu192O60">
                  <atomArray count="192 60" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">13160.796000000066</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/192Cu.60O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;97;98;99;100;101;102;103;104;105;106;107;108;109;110;111;112;113;114;115;116;117;118;119;120;121;122;123;124;125;126;127;128;129;130;131;132;133;134;135;136;137;138;139;140;141;142;143;144;145;146;147;148;149;150;151;152;153;154;155;156;157;158;159;160;161;162;163;164;165;166;167;168;169;170;171;172;173;174;175;176;177;178;179;180;181;182;183;184;185;186;187;188;189;190;191;192;193;194;195;196;197;198;199;200;201;202;203;204;205;206;207;208;209;210;211;212;213;214;215;216;217;218;219;220;221;222;223;224;225;226;227;228;229;230;231;232;233;234;235;236;237;238;239;240;241;242;243;244;245;246;247;248;249;250;251;252/rA:252CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3O3OO1O1O4O3O3O3O4O3O3O3O4O3O4O3O3O3O3OO1O3O3OO1O3OO4OO3O1O4O3O3O3O1O3O1OO3O5O4O3O4O3O4O1O3O4O4OO3O4O3O3O3OOO3/rB:;;;;;;;;;;;;;;s4;s12;;s1s6;;;s8;;;;;;s6s14;s18;s15;;s7;;;;;;;;s29;;;s16;s5;s6s8;;s44;s22s23;;;;s20s26;s14s28;s7;;;s54;s47s54;;s18s20s37;;s39;;;s38;s5s47;s5;;;;s33s39;s18s29s37;s11s67;s33s71;s10;s34s57s58;s17s34;s34s69s77;;s57s61s78;s38;s69s80;s30;s8s17s23;s27s42s59s74;s15s79;;;s55;;s54s57s80;s80s82s91;;s3;s32;s15;s82s83;s71;s7;s52;s79s84;s24s25s64;s76s99;;s23s77s79s84;;;s36;s14;s2s53s106;s31;;s54s75;s5s12s21s66;s77s114;s17s77s79s105;s38s63s65;s61s77s116;s10s75s95;s106;s104;s18s56;s9;;s77s78s79s105;s42;s1s6;s83;s8s22;s38s63s81;s79s116;s61;s23s48s55;s61s78s118;s9;s47s58;s126;s99s103;s73;s10s39s42s71s85s98;;s2;s120s142;s125s133;s51s98s126s140;s5s66s73s114;s119;s10s99s103s119s126s138;s18s20;s13s106s111s120;s88;s25s110s142s143;s15s69s83;s25s109s142;s7s43;s35s42s85s98;s59s62s70s74;s132;s11s26s139;s39s50s71;s7s103s155;s12s118s132;s8s22;s34s57s61s78s118;s13s124;s12s17s21s22s23s77s105;s35s42s89s126s137;s101;s40s124;s44s47s103s107;s60s122s129;s100s171;;s29s40s41s122s165s169;s24s141;s69s131s153;s13s100s111s171;s30;s10s91s113;s10s39s119s123s160;s5s44s47s67s136;s172;s8s163;s2s29s120s143s165s174;s168;s34s66s76s115s164;s131s134;s22s129;s56s66;s10s39s123s180;s123s180;s29s40s41;s86s101s109;s62s83s128;s108s135;s43;s93;s51s71s140s160;s122s158s162;s36s70s157;s55s89s133;s25s102s110s152;s40s169s187;s33s39s62;s16s43s63;s130s147s155s161;s26s159s182;s82s91s97s179;s89s115s170;s141s151s175;s95s119s191;s122s129s165;s163s183;s100;s46s49s191;s162s186s189;s87s173;s75;s12s56s189;s4s68;s84s124s165s169;s88s127;s51s104s121;s29;s2s13s106s150;s106s141s173;s35s144s178;s129s182s188;s31;s41s118s174;s90;s4s16;s11s26s37;s14s25s109s142s154;s1s6s127s183;s6s8s45;s30s79s168s178;s86s131s176;s31s111s149s150;s126;s53s88s110;s27s34s97s125;s49s50s135s160;s64s93;s38s44s81;s2s6s28s124;s119s145s147;s90s100s111;s13s165s177;s53s102;s98s137;s47s58s66;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="box" id="box">
                  <scalar dataType="xsd:double" dictRef="l:xlo">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="l:xhi">12.174243</scalar>
                  <scalar dataType="xsd:double" dictRef="l:ylo">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="l:yhi">10.543204</scalar>
                  <scalar dataType="xsd:double" dictRef="l:zlo">0.0</scalar>
                  <scalar dataType="xsd:double" dictRef="l:zhi">43.000000</scalar>
               </module>
               <module cmlx:templateRef="tilt" id="tilt">
                  <scalar dataType="xsd:double" dictRef="l:xyTilt">6.087121</scalar>
                  <scalar dataType="xsd:double" dictRef="l:xzTilt">0.000000</scalar>
                  <scalar dataType="xsd:double" dictRef="l:yzTilt">0.000000</scalar>
               </module>
               <module cmlx:templateRef="masses" id="masses">
                  <list cmlx:templateRef="atomType">
                     <list>
                        <scalar dataType="xsd:integer" dictRef="x:serial">1</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:atomicmass">15.9994</scalar>
                        <scalar dictRef="cc:atomType">O</scalar>
                     </list>
                     <list>
                        <scalar dataType="xsd:integer" dictRef="x:serial">2</scalar>
                        <scalar dataType="xsd:double" dictRef="cc:atomicmass">63.546</scalar>
                        <scalar dictRef="cc:atomType">Cu</scalar>
                     </list>
                  </list>
                  <map id="atomTypeLabels">
                     <link from="1" to="O"/>
                     <link from="2" to="Cu"/>
                  </map>
               </module>
               <module cmlx:templateRef="atoms" id="atoms">
                  <list dictRef="l:axis">
                     <array dictRef="cc:lattice">12.174243 0 0</array>
                     <array dictRef="cc:lattice">6.087121 10.543204 0</array>
                     <array dictRef="cc:lattice">0 0 43</array>
                  </list>
               </module>
               <module cmlx:templateRef="input" id="input">
                  <parameterList>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">variable</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">Htemperature equal 1100</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">variable</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">Ltemperature equal 300</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">variable</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">pressure equal 1.0</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">variable</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">N_steps equal 333333</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">variable</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">N_steps_cooling equal 166666</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">variable</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">seed equal 18</scalar>
                     </parameter>
                     <parameter/>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">units</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">metal</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">box</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">tilt large</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">boundary</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">p p p</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">atom_style</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">atomic</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">read_data</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">structure.lammps</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">pair_style</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">nnp dir /gpfs/projects/iciq72/zlian/1NN/n2p2/al/final-combine/n2p2/HDNNP_1 showew yes resetew yes maxew 750000000 showewsum 10000 cflength 1.889726124626 cfenergy 0.036749322175655 emap "1:O,2:Cu"</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">pair_coeff</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">* * 6.350126530836</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">timestep</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">0.003</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">thermo</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">1000</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">variable</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">thermo equal 0</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">thermo_style</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">custom v_thermo step time temp epair etotal fmax fnorm press</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">thermo_modify</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">format line "thermo %8d %10.1f %8.1f %15.3f %15.3f %9.3f %9.3f %9.1f"</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">velocity</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">all create ${Htemperature} ${seed}</scalar>
                     </parameter>
                     <parameter/>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">fix</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">annealing all nvt temp ${Htemperature} ${Ltemperature} $(100.0*dt) fixedpoint 0.0 0.0 0.0</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">dump</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">annealing all custom 100 annealing.lammpstrj id element x y z</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">dump_modify</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">annealing pbc yes sort id element  O Cu</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">run</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">${N_steps_cooling}</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">unfix</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">annealing</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">undump</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">annealing</scalar>
                     </parameter>
                     <parameter/>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">fix</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">int all nvt temp ${Ltemperature} ${Ltemperature} 0.1 fixedpoint 0.0 0.0 0.0</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">dump</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">eq all custom 100 eqLT.lammpstrj id element x y z</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">dump_modify</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">eq pbc yes sort id element  O Cu</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">run</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">${N_steps}</scalar>
                     </parameter>
                  </parameterList>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation"/>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="cc:walltime">
                  <scalar dataType="xsd:string">0:53:12</scalar>
               </property>
               <property dictRef="cc:walltime">
                  <scalar dataType="xsd:integer" id="walltime" units="si:s">3192</scalar>
               </property>
               <property dictRef="l:nsperday">
                  <scalar dataType="xsd:double">41.159</scalar>
               </property>
               <property dictRef="l:hourperns">
                  <scalar dataType="xsd:double">0.583</scalar>
               </property>
               <property dictRef="l:timestepperns">
                  <scalar dataType="xsd:double">158.791</scalar>
               </property>
               <property dictRef="l:cpuusage">
                  <scalar dataType="xsd:double">99.7</scalar>
               </property>
               <property dictRef="mpi">
                  <list cmlx:templateRef="timing">
                     <array dataType="xsd:string" dictRef="l:section" size="6">Pair Neigh Comm Output Modify Other</array>
                     <array dataType="xsd:double" dictRef="l:mintime" size="5">0.17708 0.016138 2.8991 0.1641 1.1591</array>
                     <array dataType="xsd:double" dictRef="l:avgtime" size="6">525.06 0.21746 243.89 0.22374 279.04 1.16</array>
                     <array dataType="xsd:double" dictRef="l:maxtime" size="5">1014.5 0.44145 855.06 0.56546 1045.1</array>
                     <array dataType="xsd:double" dictRef="l:varavg" size="5">1608.2 33.7 1673.5 12.8 2665.0</array>
                     <array dataType="xsd:double" dictRef="l:totalpercent" size="6">50.03 0.02 23.24 0.02 26.59 0.11</array>
                  </list>
               </property>
            </propertyList>
            <molecule id="finalization">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">12.174243</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">12.174243001281722</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">43.0</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">60.0</scalar>
               </crystal>
               <atomArray>
                  <atom elementType="Cu"
                        id="a1"
                        x3="10.6093"
                        xFract="0.8022375"
                        y3="1.45954"
                        yFract="0.1384342"
                        z3="7.89602"
                        zFract="0.18362837"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="11.3037"
                        xFract="0.6125744"
                        y3="6.66159"
                        yFract="0.63183734"
                        z3="8.65912"
                        zFract="0.20137488"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="15.7666"
                        xFract="0.87523175"
                        y3="8.85306"
                        yFract="0.83969351"
                        z3="20.5099"
                        zFract="0.47697442"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="3.87172"
                        xFract="0.19701488"
                        y3="2.55168"
                        yFract="0.24202131"
                        z3="30.4921"
                        zFract="0.7091186"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="4.62977"
                        xFract="0.3318525"
                        y3="1.02142"
                        yFract="0.09687947"
                        z3="19.1032"
                        zFract="0.44426047"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="12.5651"
                        xFract="0.87299281"
                        y3="3.35511"
                        yFract="0.3182249"
                        z3="10.2130"
                        zFract="0.23751163"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="4.76619"
                        xFract="0.14497699"
                        y3="5.19824"
                        yFract="0.49304177"
                        z3="23.2629"
                        zFract="0.54099767"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="10.0641"
                        xFract="0.70534456"
                        y3="2.55835"
                        yFract="0.24265394"
                        z3="12.9198"
                        zFract="0.30046047"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="11.2646"
                        xFract="0.47613756"
                        y3="9.47083"
                        yFract="0.89828766"
                        z3="28.4132"
                        zFract="0.66077209"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="9.47383"
                        xFract="0.45931037"
                        y3="6.72395"
                        yFract="0.63775205"
                        z3="24.9973"
                        zFract="0.58133256"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="1.99401"
                        xFract="0.00098153"
                        y3="3.43303"
                        yFract="0.32561544"
                        z3="14.3248"
                        zFract="0.33313488"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.04292"
                        xFract="0.40655506"
                        y3="3.62591"
                        yFract="0.34390969"
                        z3="15.8654"
                        zFract="0.36896279"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="9.23201"
                        xFract="0.52934152"
                        y3="4.8284"
                        yFract="0.45796325"
                        z3="8.59966"
                        zFract="0.19999209"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="14.7976"
                        xFract="0.88937937"
                        y3="6.87638"
                        yFract="0.65220971"
                        z3="9.7836"
                        zFract="0.22752558"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="14.4622"
                        xFract="0.77528314"
                        y3="8.70133"
                        yFract="0.82530225"
                        z3="18.0775"
                        zFract="0.42040698"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="2.02965"
                        xFract="0.01225658"
                        y3="3.25701"
                        yFract="0.30892032"
                        z3="29.1106"
                        zFract="0.6769907"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="8.76471"
                        xFract="0.49619707"
                        y3="4.71791"
                        yFract="0.44748352"
                        z3="14.4943"
                        zFract="0.33707674"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="6.49944"
                        xFract="0.27366496"
                        y3="5.48675"
                        yFract="0.52040632"
                        z3="10.2955"
                        zFract="0.23943023"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="12.7396"
                        xFract="0.99841401"
                        y3="1.01267"
                        yFract="0.09604955"
                        z3="9.26744"
                        zFract="0.21552186"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="3.98757"
                        xFract="0.09988066"
                        y3="4.80055"
                        yFract="0.45532174"
                        z3="7.86519"
                        zFract="0.1829114"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.48494"
                        xFract="0.66101067"
                        y3="0.758007"
                        yFract="0.07189532"
                        z3="17.0445"
                        zFract="0.39638372"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="9.15228"
                        xFract="0.71786757"
                        y3="0.714966"
                        yFract="0.06781297"
                        z3="14.3452"
                        zFract="0.3336093"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="11.9335"
                        xFract="0.85871236"
                        y3="2.56227"
                        yFract="0.24302574"
                        z3="14.8801"
                        zFract="0.34604884"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="17.0648"
                        xFract="0.90935366"
                        y3="10.3821"
                        yFract="0.98471964"
                        z3="5.30057"
                        zFract="0.12326907"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="14.1167"
                        xFract="0.67591612"
                        y3="10.1982"
                        yFract="0.96727712"
                        z3="9.26755"
                        zFract="0.21552442"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="2.29947"
                        xFract="0.07525033"
                        y3="2.39604"
                        yFract="0.22725919"
                        z3="10.7787"
                        zFract="0.25066744"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="11.6934"
                        xFract="0.74193546"
                        y3="4.60881"
                        yFract="0.43713562"
                        z3="21.2417"
                        zFract="0.49399302"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="14.2880"
                        xFract="0.93961157"
                        y3="4.93451"
                        yFract="0.46802756"
                        z3="9.02735"
                        zFract="0.20993837"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="7.30446"
                        xFract="0.22998876"
                        y3="7.80206"
                        yFract="0.74000845"
                        z3="10.2817"
                        zFract="0.2391093"/>
                  <atom elementType="Cu"
                        id="a30"
                        x3="13.4430"
                        xFract="0.75967515"
                        y3="7.26514"
                        yFract="0.68908275"
                        z3="19.3887"
                        zFract="0.4509"/>
                  <atom elementType="Cu"
                        id="a31"
                        x3="4.91549"
                        xFract="0.12556473"
                        y3="5.86617"
                        yFract="0.55639348"
                        z3="5.51855"
                        zFract="0.12833837"/>
                  <atom elementType="Cu"
                        id="a32"
                        x3="5.24383"
                        xFract="0.16981321"
                        y3="5.50183"
                        yFract="0.52183663"
                        z3="25.6196"
                        zFract="0.59580465"/>
                  <atom elementType="Cu"
                        id="a33"
                        x3="15.0668"
                        xFract="0.9177753"
                        y3="6.74388"
                        yFract="0.63964237"
                        z3="27.0373"
                        zFract="0.62877442"/>
                  <atom elementType="Cu"
                        id="a34"
                        x3="8.71794"
                        xFract="0.4523898"
                        y3="5.56064"
                        yFract="0.52741463"
                        z3="19.5179"
                        zFract="0.45390465"/>
                  <atom elementType="Cu"
                        id="a35"
                        x3="12.4418"
                        xFract="0.93287204"
                        y3="1.87891"
                        yFract="0.17821053"
                        z3="21.3547"
                        zFract="0.49662093"/>
                  <atom elementType="Cu"
                        id="a36"
                        x3="15.7684"
                        xFract="0.81540069"
                        y3="10.1178"
                        yFract="0.95965135"
                        z3="26.2010"
                        zFract="0.60932558"/>
                  <atom elementType="Cu"
                        id="a37"
                        x3="3.28695"
                        xFract="0.02581971"
                        y3="5.14872"
                        yFract="0.48834491"
                        z3="11.5708"
                        zFract="0.26908837"/>
                  <atom elementType="Cu"
                        id="a38"
                        x3="3.90814"
                        xFract="0.31992762"
                        y3="0.022973"
                        yFract="0.00217894"
                        z3="24.3753"
                        zFract="0.56686744"/>
                  <atom elementType="Cu"
                        id="a39"
                        x3="12.0170"
                        xFract="0.65138954"
                        y3="7.07859"
                        yFract="0.67138889"
                        z3="26.4036"
                        zFract="0.61403721"/>
                  <atom elementType="Cu"
                        id="a40"
                        x3="8.85074"
                        xFract="0.28665634"
                        y3="9.28538"
                        yFract="0.88069813"
                        z3="11.6876"
                        zFract="0.27180465"/>
                  <atom elementType="Cu"
                        id="a41"
                        x3="7.19205"
                        xFract="0.17507899"
                        y3="8.76521"
                        yFract="0.83136113"
                        z3="13.9129"
                        zFract="0.32355581"/>
                  <atom elementType="Cu"
                        id="a42"
                        x3="10.7113"
                        xFract="0.70120604"
                        y3="3.7666"
                        yFract="0.35725383"
                        z3="23.6578"
                        zFract="0.5501814"/>
                  <atom elementType="Cu"
                        id="a43"
                        x3="3.24406"
                        xFract="0.0802895"
                        y3="3.92586"
                        yFract="0.37235929"
                        z3="27.0047"
                        zFract="0.62801628"/>
                  <atom elementType="Cu"
                        id="a44"
                        x3="4.9084"
                        xFract="0.33277543"
                        y3="1.48456"
                        yFract="0.14080729"
                        z3="21.6273"
                        zFract="0.50296047"/>
                  <atom elementType="Cu"
                        id="a45"
                        x3="12.1438"
                        xFract="0.91836786"
                        y3="1.6686"
                        yFract="0.15826309"
                        z3="12.0793"
                        zFract="0.28091395"/>
                  <atom elementType="Cu"
                        id="a46"
                        x3="9.47191"
                        xFract="0.28864711"
                        y3="10.3193"
                        yFract="0.97876319"
                        z3="30.5299"
                        zFract="0.70999767"/>
                  <atom elementType="Cu"
                        id="a47"
                        x3="4.84104"
                        xFract="0.23730726"
                        y3="3.38097"
                        yFract="0.32067766"
                        z3="20.4498"
                        zFract="0.47557674"/>
                  <atom elementType="Cu"
                        id="a48"
                        x3="11.6588"
                        xFract="0.95728891"
                        y3="0.00785"
                        yFract="0.00074456"
                        z3="14.3530"
                        zFract="0.3337907"/>
                  <atom elementType="Cu"
                        id="a49"
                        x3="11.0092"
                        xFract="0.52495214"
                        y3="7.99914"
                        yFract="0.75870106"
                        z3="30.8206"
                        zFract="0.71675814"/>
                  <atom elementType="Cu"
                        id="a50"
                        x3="13.5250"
                        xFract="0.85927951"
                        y3="5.30687"
                        yFract="0.50334509"
                        z3="30.2626"
                        zFract="0.7037814"/>
                  <atom elementType="Cu"
                        id="a51"
                        x3="11.4210"
                        xFract="0.81094813"
                        y3="2.68177"
                        yFract="0.25436006"
                        z3="28.4098"
                        zFract="0.66069302"/>
                  <atom elementType="Cu"
                        id="a52"
                        x3="2.69804"
                        xFract="0.09506468"
                        y3="2.66857"
                        yFract="0.25310807"
                        z3="8.47917"
                        zFract="0.19719"/>
                  <atom elementType="Cu"
                        id="a53"
                        x3="14.9748"
                        xFract="0.92060277"
                        y3="6.52491"
                        yFract="0.61887354"
                        z3="7.38375"
                        zFract="0.17171512"/>
                  <atom elementType="Cu"
                        id="a54"
                        x3="4.81314"
                        xFract="0.03596838"
                        y3="7.57816"
                        yFract="0.71877202"
                        z3="22.0398"
                        zFract="0.51255349"/>
                  <atom elementType="Cu"
                        id="a55"
                        x3="12.0872"
                        xFract="0.98107511"
                        y3="0.248295"
                        yFract="0.02355024"
                        z3="19.2430"
                        zFract="0.44751163"/>
                  <atom elementType="Cu"
                        id="a56"
                        x3="4.54708"
                        xFract="0.21476271"
                        y3="3.3472"
                        yFract="0.31747465"
                        z3="13.3897"
                        zFract="0.31138837"/>
                  <atom elementType="Cu"
                        id="a57"
                        x3="5.79132"
                        xFract="0.09738745"
                        y3="7.97731"
                        yFract="0.75663053"
                        z3="19.7550"
                        zFract="0.4594186"/>
                  <atom elementType="Cu"
                        id="a58"
                        x3="3.89085"
                        xFract="0.04261705"
                        y3="5.84051"
                        yFract="0.55395969"
                        z3="20.7641"
                        zFract="0.48288605"/>
                  <atom elementType="Cu"
                        id="a59"
                        x3="14.3043"
                        xFract="0.86968276"
                        y3="6.43729"
                        yFract="0.61056297"
                        z3="22.4314"
                        zFract="0.52166047"/>
                  <atom elementType="Cu"
                        id="a60"
                        x3="4.64821"
                        xFract="0.19692099"
                        y3="3.89858"
                        yFract="0.36977185"
                        z3="10.0299"
                        zFract="0.23325349"/>
                  <atom elementType="Cu"
                        id="a61"
                        x3="6.6684"
                        xFract="0.11901025"
                        y3="9.04051"
                        yFract="0.85747274"
                        z3="17.1007"
                        zFract="0.3976907"/>
                  <atom elementType="Cu"
                        id="a62"
                        x3="13.7481"
                        xFract="0.73155936"
                        y3="8.38645"
                        yFract="0.79543657"
                        z3="24.9614"
                        zFract="0.58049767"/>
                  <atom elementType="Cu"
                        id="a63"
                        x3="3.24471"
                        xFract="0.21937344"
                        y3="0.994205"
                        yFract="0.09429818"
                        z3="27.8701"
                        zFract="0.64814186"/>
                  <atom elementType="Cu"
                        id="a64"
                        x3="16.7913"
                        xFract="0.90881085"
                        y3="9.91983"
                        yFract="0.94087433"
                        z3="9.40278"
                        zFract="0.2186693"/>
                  <atom elementType="Cu"
                        id="a65"
                        x3="1.46834"
                        xFract="0.09635869"
                        y3="0.511381"
                        yFract="0.04850338"
                        z3="23.4533"
                        zFract="0.54542558"/>
                  <atom elementType="Cu"
                        id="a66"
                        x3="4.50405"
                        xFract="0.21870363"
                        y3="3.18957"
                        yFract="0.30252379"
                        z3="18.0826"
                        zFract="0.42052558"/>
                  <atom elementType="Cu"
                        id="a67"
                        x3="2.14142"
                        xFract="0.14483564"
                        y3="0.654985"
                        yFract="0.0621239"
                        z3="18.1632"
                        zFract="0.4224"/>
                  <atom elementType="Cu"
                        id="a68"
                        x3="6.39223"
                        xFract="0.50421724"
                        y3="0.439537"
                        yFract="0.04168913"
                        z3="29.5431"
                        zFract="0.68704884"/>
                  <atom elementType="Cu"
                        id="a69"
                        x3="11.0950"
                        xFract="0.47647162"
                        y3="9.17003"
                        yFract="0.86975743"
                        z3="18.9559"
                        zFract="0.44083488"/>
                  <atom elementType="Cu"
                        id="a70"
                        x3="15.7749"
                        xFract="0.8489018"
                        y3="9.42264"
                        yFract="0.89371694"
                        z3="23.5026"
                        zFract="0.54657209"/>
                  <atom elementType="Cu"
                        id="a71"
                        x3="13.2607"
                        xFract="0.85188038"
                        y3="5.00511"
                        yFract="0.47472381"
                        z3="27.3433"
                        zFract="0.6358907"/>
                  <atom elementType="Cu"
                        id="a72"
                        x3="5.00817"
                        xFract="0.07423292"
                        y3="7.1091"
                        yFract="0.67428269"
                        z3="11.1787"
                        zFract="0.25996977"/>
                  <atom elementType="Cu"
                        id="a73"
                        x3="2.22815"
                        xFract="0.07560459"
                        y3="2.26504"
                        yFract="0.21483412"
                        z3="16.7183"
                        zFract="0.38879767"/>
                  <atom elementType="Cu"
                        id="a74"
                        x3="14.0869"
                        xFract="0.89565978"
                        y3="5.51298"
                        yFract="0.52289418"
                        z3="25.0744"
                        zFract="0.58312558"/>
                  <atom elementType="Cu"
                        id="a75"
                        x3="7.15956"
                        xFract="0.22426307"
                        y3="7.67182"
                        yFract="0.72765546"
                        z3="25.9141"
                        zFract="0.60265349"/>
                  <atom elementType="Cu"
                        id="a76"
                        x3="6.55209"
                        xFract="0.27093536"
                        y3="5.6355"
                        yFract="0.53451493"
                        z3="20.6619"
                        zFract="0.4805093"/>
                  <atom elementType="Cu"
                        id="a77"
                        x3="9.09098"
                        xFract="0.51109891"
                        y3="4.9688"
                        yFract="0.47127989"
                        z3="17.1127"
                        zFract="0.39796977"/>
                  <atom elementType="Cu"
                        id="a78"
                        x3="9.76277"
                        xFract="0.46175739"
                        y3="7.17281"
                        yFract="0.68032545"
                        z3="18.1881"
                        zFract="0.42297907"/>
                  <atom elementType="Cu"
                        id="a79"
                        x3="12.1937"
                        xFract="0.68020163"
                        y3="6.7771"
                        yFract="0.64279322"
                        z3="16.8680"
                        zFract="0.39227907"/>
                  <atom elementType="Cu"
                        id="a80"
                        x3="8.15321"
                        xFract="0.24428082"
                        y3="8.97077"
                        yFract="0.85085805"
                        z3="19.3217"
                        zFract="0.44934186"/>
                  <atom elementType="Cu"
                        id="a81"
                        x3="6.42574"
                        xFract="0.49840724"
                        y3="0.62009"
                        yFract="0.05881419"
                        z3="23.9620"
                        zFract="0.55725581"/>
                  <atom elementType="Cu"
                        id="a82"
                        x3="10.0325"
                        xFract="0.36035161"
                        y3="9.77828"
                        yFract="0.92744862"
                        z3="21.0272"
                        zFract="0.48900465"/>
                  <atom elementType="Cu"
                        id="a83"
                        x3="12.9436"
                        xFract="0.65917505"
                        y3="8.51934"
                        yFract="0.8080409"
                        z3="21.4064"
                        zFract="0.49782326"/>
                  <atom elementType="Cu"
                        id="a84"
                        x3="11.3450"
                        xFract="0.70866159"
                        y3="4.70699"
                        yFract="0.44644778"
                        z3="13.7602"
                        zFract="0.32000465"/>
                  <atom elementType="Cu"
                        id="a85"
                        x3="12.0971"
                        xFract="0.72111015"
                        y3="5.74717"
                        yFract="0.54510659"
                        z3="23.4285"
                        zFract="0.54484884"/>
                  <atom elementType="Cu"
                        id="a86"
                        x3="14.3884"
                        xFract="0.80120717"
                        y3="8.02686"
                        yFract="0.76133024"
                        z3="15.9679"
                        zFract="0.37134651"/>
                  <atom elementType="Cu"
                        id="a87"
                        x3="5.95181"
                        xFract="0.01965714"
                        y3="9.89434"
                        yFract="0.93845666"
                        z3="7.38335"
                        zFract="0.17170581"/>
                  <atom elementType="Cu"
                        id="a88"
                        x3="14.1112"
                        xFract="0.93595108"
                        y3="4.70547"
                        yFract="0.44630361"
                        z3="5.40671"
                        zFract="0.12573744"/>
                  <atom elementType="Cu"
                        id="a89"
                        x3="9.94831"
                        xFract="0.78263291"
                        y3="0.728062"
                        yFract="0.0690551"
                        z3="19.9222"
                        zFract="0.46330698"/>
                  <atom elementType="Cu"
                        id="a90"
                        x3="7.81956"
                        xFract="0.56560158"
                        y3="1.61737"
                        yFract="0.15340403"
                        z3="6.58695"
                        zFract="0.15318488"/>
                  <atom elementType="Cu"
                        id="a91"
                        x3="7.37889"
                        xFract="0.22097047"
                        y3="8.12114"
                        yFract="0.77027249"
                        z3="21.5061"
                        zFract="0.50014186"/>
                  <atom elementType="Cu"
                        id="a92"
                        x3="7.78532"
                        xFract="0.14038764"
                        y3="10.5243"
                        yFract="0.998207"
                        z3="21.2244"
                        zFract="0.4935907"/>
                  <atom elementType="Cu"
                        id="a93"
                        x3="16.6024"
                        xFract="0.95015575"
                        y3="8.72083"
                        yFract="0.82715178"
                        z3="13.0182"
                        zFract="0.30274884"/>
                  <atom elementType="Cu"
                        id="a94"
                        x3="17.8571"
                        xFract="0.99691024"
                        y3="9.90815"
                        yFract="0.93976651"
                        z3="21.7757"
                        zFract="0.50641163"/>
                  <atom elementType="Cu"
                        id="a95"
                        x3="6.22495"
                        xFract="0.25372792"
                        y3="5.43172"
                        yFract="0.51518684"
                        z3="28.0330"
                        zFract="0.65193023"/>
                  <atom elementType="Cu"
                        id="a96"
                        x3="16.5529"
                        xFract="0.91089983"
                        y3="9.46286"
                        yFract="0.89753172"
                        z3="17.7879"
                        zFract="0.41367209"/>
                  <atom elementType="Cu"
                        id="a97"
                        x3="10.8857"
                        xFract="0.55014238"
                        y3="7.25406"
                        yFract="0.68803184"
                        z3="20.8396"
                        zFract="0.48464186"/>
                  <atom elementType="Cu"
                        id="a98"
                        x3="12.7399"
                        xFract="0.89860421"
                        y3="3.11782"
                        yFract="0.29571846"
                        z3="25.8108"
                        zFract="0.60025116"/>
                  <atom elementType="Cu"
                        id="a99"
                        x3="7.01391"
                        xFract="0.28028384"
                        y3="6.23827"
                        yFract="0.59168636"
                        z3="23.4819"
                        zFract="0.5460907"/>
                  <atom elementType="Cu"
                        id="a100"
                        x3="5.02595"
                        xFract="0.31965668"
                        y3="1.96479"
                        yFract="0.18635606"
                        z3="7.76716"
                        zFract="0.18063163"/>
                  <atom elementType="Cu"
                        id="a101"
                        x3="12.9564"
                        xFract="0.77053589"
                        y3="6.19331"
                        yFract="0.587422"
                        z3="14.6144"
                        zFract="0.33986977"/>
                  <atom elementType="Cu"
                        id="a102"
                        x3="15.6965"
                        xFract="0.8399082"
                        y3="9.47649"
                        yFract="0.89882449"
                        z3="7.36992"
                        zFract="0.17139349"/>
                  <atom elementType="Cu"
                        id="a103"
                        x3="7.19704"
                        xFract="0.40323793"
                        y3="3.9628"
                        yFract="0.37586297"
                        z3="22.0622"
                        zFract="0.51307442"/>
                  <atom elementType="Cu"
                        id="a104"
                        x3="9.39231"
                        xFract="0.75868766"
                        y3="0.269961"
                        yFract="0.02560521"
                        z3="28.7156"
                        zFract="0.66780465"/>
                  <atom elementType="Cu"
                        id="a105"
                        x3="11.4434"
                        xFract="0.73125215"
                        y3="4.40107"
                        yFract="0.41743193"
                        z3="16.2219"
                        zFract="0.37725349"/>
                  <atom elementType="Cu"
                        id="a106"
                        x3="10.4061"
                        xFract="0.50217633"
                        y3="7.4348"
                        yFract="0.70517463"
                        z3="6.1380"
                        zFract="0.14274419"/>
                  <atom elementType="Cu"
                        id="a107"
                        x3="7.82778"
                        xFract="0.62093288"
                        y3="0.464869"
                        yFract="0.04409181"
                        z3="21.6612"
                        zFract="0.50374884"/>
                  <atom elementType="Cu"
                        id="a108"
                        x3="13.4995"
                        xFract="0.61096804"
                        y3="10.4987"
                        yFract="0.99577889"
                        z3="26.6973"
                        zFract="0.62086744"/>
                  <atom elementType="Cu"
                        id="a109"
                        x3="14.0372"
                        xFract="0.78664441"
                        y3="7.72564"
                        yFract="0.73276017"
                        z3="12.2139"
                        zFract="0.28404419"/>
                  <atom elementType="Cu"
                        id="a110"
                        x3="12.7798"
                        xFract="0.67968685"
                        y3="7.80311"
                        yFract="0.74010804"
                        z3="6.8924"
                        zFract="0.16028837"/>
                  <atom elementType="Cu"
                        id="a111"
                        x3="6.63279"
                        xFract="0.34574641"
                        y3="4.19778"
                        yFract="0.39815032"
                        z3="6.50453"
                        zFract="0.15126814"/>
                  <atom elementType="Cu"
                        id="a112"
                        x3="1.1927"
                        xFract="0.03844216"
                        y3="1.25521"
                        yFract="0.11905394"
                        z3="5.78795"
                        zFract="0.13460349"/>
                  <atom elementType="Cu"
                        id="a113"
                        x3="6.10686"
                        xFract="0.0878131"
                        y3="8.72573"
                        yFract="0.82761654"
                        z3="24.0023"
                        zFract="0.55819302"/>
                  <atom elementType="Cu"
                        id="a114"
                        x3="6.48655"
                        xFract="0.44019895"
                        y3="1.95282"
                        yFract="0.18522074"
                        z3="17.5640"
                        zFract="0.40846512"/>
                  <atom elementType="Cu"
                        id="a115"
                        x3="8.62181"
                        xFract="0.55866574"
                        y3="3.15316"
                        yFract="0.29907038"
                        z3="18.3110"
                        zFract="0.42583721"/>
                  <atom elementType="Cu"
                        id="a116"
                        x3="10.2567"
                        xFract="0.53022812"
                        y3="6.58452"
                        yFract="0.62452742"
                        z3="15.4868"
                        zFract="0.36015814"/>
                  <atom elementType="Cu"
                        id="a117"
                        x3="1.9268"
                        xFract="0.15501946"
                        y3="0.068512"
                        yFract="0.00649821"
                        z3="25.8631"
                        zFract="0.60146744"/>
                  <atom elementType="Cu"
                        id="a118"
                        x3="8.05519"
                        xFract="0.32170056"
                        y3="7.16849"
                        yFract="0.67991571"
                        z3="16.0514"
                        zFract="0.37328837"/>
                  <atom elementType="Cu"
                        id="a119"
                        x3="7.96826"
                        xFract="0.39681211"
                        y3="5.43409"
                        yFract="0.51541163"
                        z3="26.6602"
                        zFract="0.62000465"/>
                  <atom elementType="Cu"
                        id="a120"
                        x3="8.40968"
                        xFract="0.30921312"
                        y3="8.0458"
                        yFract="0.76312665"
                        z3="7.82236"
                        zFract="0.18191535"/>
                  <atom elementType="Cu"
                        id="a121"
                        x3="11.7210"
                        xFract="0.95933476"
                        y3="0.072444"
                        yFract="0.00687116"
                        z3="27.6004"
                        zFract="0.64186977"/>
                  <atom elementType="Cu"
                        id="a122"
                        x3="6.57585"
                        xFract="0.30597895"
                        y3="4.93771"
                        yFract="0.46833107"
                        z3="12.6658"
                        zFract="0.29455349"/>
                  <atom elementType="Cu"
                        id="a123"
                        x3="8.81123"
                        xFract="0.28598656"
                        y3="9.23107"
                        yFract="0.87554694"
                        z3="27.8135"
                        zFract="0.64682558"/>
                  <atom elementType="Cu"
                        id="a124"
                        x3="11.4408"
                        xFract="0.65874083"
                        y3="5.92557"
                        yFract="0.56202744"
                        z3="11.2982"
                        zFract="0.26274884"/>
                  <atom elementType="Cu"
                        id="a125"
                        x3="11.1697"
                        xFract="0.67637261"
                        y3="5.08422"
                        yFract="0.48222722"
                        z3="18.3520"
                        zFract="0.4267907"/>
                  <atom elementType="Cu"
                        id="a126"
                        x3="8.79231"
                        xFract="0.61193534"
                        y3="2.32521"
                        yFract="0.22054112"
                        z3="24.1161"
                        zFract="0.56083953"/>
                  <atom elementType="Cu"
                        id="a127"
                        x3="12.3881"
                        xFract="0.86203347"
                        y3="3.27963"
                        yFract="0.31106578"
                        z3="7.68545"
                        zFract="0.1787314"/>
                  <atom elementType="Cu"
                        id="a128"
                        x3="11.5092"
                        xFract="0.5446466"
                        y3="8.44988"
                        yFract="0.80145277"
                        z3="23.3531"
                        zFract="0.54309535"/>
                  <atom elementType="Cu"
                        id="a129"
                        x3="7.6739"
                        xFract="0.5287712"
                        y3="2.1417"
                        yFract="0.20313559"
                        z3="13.1611"
                        zFract="0.30607209"/>
                  <atom elementType="Cu"
                        id="a130"
                        x3="5.15972"
                        xFract="0.39330366"
                        y3="0.643536"
                        yFract="0.06103799"
                        z3="26.2946"
                        zFract="0.61150233"/>
                  <atom elementType="Cu"
                        id="a131"
                        x3="11.7205"
                        xFract="0.55341112"
                        y3="8.63105"
                        yFract="0.81863635"
                        z3="15.2049"
                        zFract="0.35360233"/>
                  <atom elementType="Cu"
                        id="a132"
                        x3="4.96931"
                        xFract="0.03457669"
                        y3="7.8780"
                        yFract="0.74721119"
                        z3="16.0340"
                        zFract="0.37288372"/>
                  <atom elementType="Cu"
                        id="a133"
                        x3="12.0901"
                        xFract="0.94412325"
                        y3="1.0325"
                        yFract="0.09793038"
                        z3="16.7278"
                        zFract="0.3890186"/>
                  <atom elementType="Cu"
                        id="a134"
                        x3="9.28726"
                        xFract="0.32256264"
                        y3="9.28432"
                        yFract="0.88059759"
                        z3="16.9003"
                        zFract="0.39303023"/>
                  <atom elementType="Cu"
                        id="a135"
                        x3="13.3449"
                        xFract="0.70575065"
                        y3="8.2323"
                        yFract="0.78081577"
                        z3="29.4475"
                        zFract="0.68482558"/>
                  <atom elementType="Cu"
                        id="a136"
                        x3="2.77654"
                        xFract="0.04417911"
                        y3="3.87753"
                        yFract="0.3677753"
                        z3="21.8643"
                        zFract="0.50847209"/>
                  <atom elementType="Cu"
                        id="a137"
                        x3="10.7679"
                        xFract="0.84418847"
                        y3="0.849648"
                        yFract="0.08058727"
                        z3="24.1652"
                        zFract="0.5619814"/>
                  <atom elementType="Cu"
                        id="a138"
                        x3="8.99729"
                        xFract="0.47168035"
                        y3="5.63772"
                        yFract="0.5347255"
                        z3="22.2442"
                        zFract="0.51730698"/>
                  <atom elementType="Cu"
                        id="a139"
                        x3="1.65449"
                        xFract="0.12462492"
                        y3="0.237769"
                        yFract="0.02255187"
                        z3="15.5220"
                        zFract="0.36097674"/>
                  <atom elementType="Cu"
                        id="a140"
                        x3="11.2528"
                        xFract="0.68807747"
                        y3="4.98134"
                        yFract="0.47246928"
                        z3="25.7135"
                        zFract="0.59798837"/>
                  <atom elementType="Cu"
                        id="a141"
                        x3="12.1957"
                        xFract="0.58169667"
                        y3="8.85768"
                        yFract="0.84013171"
                        z3="4.35536"
                        zFract="0.10128744"/>
                  <atom elementType="Cu"
                        id="a142"
                        x3="11.7118"
                        xFract="0.54832923"
                        y3="8.72314"
                        yFract="0.82737088"
                        z3="10.1497"
                        zFract="0.23603953"/>
                  <atom elementType="Cu"
                        id="a143"
                        x3="9.80407"
                        xFract="0.36395049"
                        y3="9.30674"
                        yFract="0.88272408"
                        z3="9.02778"
                        zFract="0.20994837"/>
                  <atom elementType="Cu"
                        id="a144"
                        x3="12.5850"
                        xFract="0.89867465"
                        y3="2.84804"
                        yFract="0.27013041"
                        z3="18.4153"
                        zFract="0.42826279"/>
                  <atom elementType="Cu"
                        id="a145"
                        x3="10.2928"
                        xFract="0.70931442"
                        y3="2.87076"
                        yFract="0.27228535"
                        z3="26.1774"
                        zFract="0.60877674"/>
                  <atom elementType="Cu"
                        id="a146"
                        x3="4.43986"
                        xFract="0.29993081"
                        y3="1.3656"
                        yFract="0.12952419"
                        z3="16.5093"
                        zFract="0.38393721"/>
                  <atom elementType="Cu"
                        id="a147"
                        x3="6.98524"
                        xFract="0.42382568"
                        y3="3.16183"
                        yFract="0.29989271"
                        z3="26.4270"
                        zFract="0.6145814"/>
                  <atom elementType="Cu"
                        id="a148"
                        x3="8.09127"
                        xFract="0.43977293"
                        y3="4.74126"
                        yFract="0.44969821"
                        z3="24.3914"
                        zFract="0.56724186"/>
                  <atom elementType="Cu"
                        id="a149"
                        x3="5.71384"
                        xFract="0.15401637"
                        y3="6.64901"
                        yFract="0.63064416"
                        z3="8.2398"
                        zFract="0.19162326"/>
                  <atom elementType="Cu"
                        id="a150"
                        x3="8.29129"
                        xFract="0.39874958"
                        y3="5.95274"
                        yFract="0.56460446"
                        z3="6.55188"
                        zFract="0.1523693"/>
                  <atom elementType="Cu"
                        id="a151"
                        x3="14.4572"
                        xFract="0.86229889"
                        y3="6.85782"
                        yFract="0.65044933"
                        z3="4.26387"
                        zFract="0.09915977"/>
                  <atom elementType="Cu"
                        id="a152"
                        x3="11.9446"
                        xFract="0.51224587"
                        y3="9.88723"
                        yFract="0.93778229"
                        z3="7.73886"
                        zFract="0.17997349"/>
                  <atom elementType="Cu"
                        id="a153"
                        x3="13.1397"
                        xFract="0.59247784"
                        y3="10.2654"
                        yFract="0.97365089"
                        z3="19.4283"
                        zFract="0.45182093"/>
                  <atom elementType="Cu"
                        id="a154"
                        x3="13.1946"
                        xFract="0.60577027"
                        y3="10.0802"
                        yFract="0.95608508"
                        z3="11.6023"
                        zFract="0.26982093"/>
                  <atom elementType="Cu"
                        id="a155"
                        x3="3.43232"
                        xFract="0.11580697"
                        y3="3.5030"
                        yFract="0.33225194"
                        z3="24.5968"
                        zFract="0.5720186"/>
                  <atom elementType="Cu"
                        id="a156"
                        x3="13.2407"
                        xFract="0.924382"
                        y3="3.44167"
                        yFract="0.32643492"
                        z3="23.3585"
                        zFract="0.54322093"/>
                  <atom elementType="Cu"
                        id="a157"
                        x3="15.7592"
                        xFract="0.95779406"
                        y3="7.0993"
                        yFract="0.67335319"
                        z3="24.4431"
                        zFract="0.56844419"/>
                  <atom elementType="Cu"
                        id="a158"
                        x3="3.76824"
                        xFract="0.0000974"
                        y3="6.52473"
                        yFract="0.61885647"
                        z3="14.0917"
                        zFract="0.32771395"/>
                  <atom elementType="Cu"
                        id="a159"
                        x3="2.11975"
                        xFract="0.11478413"
                        y3="1.25113"
                        yFract="0.11866696"
                        z3="13.1587"
                        zFract="0.30601628"/>
                  <atom elementType="Cu"
                        id="a160"
                        x3="11.7032"
                        xFract="0.68316368"
                        y3="5.86507"
                        yFract="0.55628915"
                        z3="28.7806"
                        zFract="0.66931628"/>
                  <atom elementType="Cu"
                        id="a161"
                        x3="5.8743"
                        xFract="0.32629866"
                        y3="3.29412"
                        yFract="0.31244013"
                        z3="23.8420"
                        zFract="0.55446512"/>
                  <atom elementType="Cu"
                        id="a162"
                        x3="6.22362"
                        xFract="0.22806098"
                        y3="5.97064"
                        yFract="0.56630224"
                        z3="15.4277"
                        zFract="0.35878372"/>
                  <atom elementType="Cu"
                        id="a163"
                        x3="9.59961"
                        xFract="0.77640088"
                        y3="0.255507"
                        yFract="0.02423428"
                        z3="12.1003"
                        zFract="0.28140233"/>
                  <atom elementType="Cu"
                        id="a164"
                        x3="7.29034"
                        xFract="0.27763193"
                        y3="6.77298"
                        yFract="0.64240244"
                        z3="18.0210"
                        zFract="0.41909302"/>
                  <atom elementType="Cu"
                        id="a165"
                        x3="9.08691"
                        xFract="0.50517758"
                        y3="5.08661"
                        yFract="0.48245391"
                        z3="11.1829"
                        zFract="0.26006744"/>
                  <atom elementType="Cu"
                        id="a166"
                        x3="9.46593"
                        xFract="0.64994011"
                        y3="2.69057"
                        yFract="0.25519472"
                        z3="15.7659"
                        zFract="0.36664884"/>
                  <atom elementType="Cu"
                        id="a167"
                        x3="9.85833"
                        xFract="0.70558528"
                        y3="2.19687"
                        yFract="0.20836835"
                        z3="22.0225"
                        zFract="0.51215116"/>
                  <atom elementType="Cu"
                        id="a168"
                        x3="14.1837"
                        xFract="0.93379632"
                        y3="4.87648"
                        yFract="0.46252354"
                        z3="16.4220"
                        zFract="0.38190698"/>
                  <atom elementType="Cu"
                        id="a169"
                        x3="10.5549"
                        xFract="0.50101156"
                        y3="7.71709"
                        yFract="0.73194923"
                        z3="12.9042"
                        zFract="0.30009767"/>
                  <atom elementType="Cu"
                        id="a170"
                        x3="7.02855"
                        xFract="0.47081021"
                        y3="2.24611"
                        yFract="0.21303866"
                        z3="20.3758"
                        zFract="0.47385581"/>
                  <atom elementType="Cu"
                        id="a171"
                        x3="6.70645"
                        xFract="0.41429354"
                        y3="2.87995"
                        yFract="0.273157"
                        z3="11.0856"
                        zFract="0.25780465"/>
                  <atom elementType="Cu"
                        id="a172"
                        x3="6.01321"
                        xFract="0.45400116"
                        y3="0.841932"
                        yFract="0.07985542"
                        z3="9.92277"
                        zFract="0.23076209"/>
                  <atom elementType="Cu"
                        id="a173"
                        x3="8.63988"
                        xFract="0.26339537"
                        y3="9.41065"
                        yFract="0.89257971"
                        z3="5.32197"
                        zFract="0.12376674"/>
                  <atom elementType="Cu"
                        id="a174"
                        x3="8.12653"
                        xFract="0.33368148"
                        y3="7.03942"
                        yFract="0.6676737"
                        z3="12.2379"
                        zFract="0.28460233"/>
                  <atom elementType="Cu"
                        id="a175"
                        x3="14.5364"
                        xFract="0.72707333"
                        y3="9.84642"
                        yFract="0.93391155"
                        z3="4.8445"
                        zFract="0.11266279"/>
                  <atom elementType="Cu"
                        id="a176"
                        x3="12.2799"
                        xFract="0.53005766"
                        y3="10.0924"
                        yFract="0.95724222"
                        z3="17.3344"
                        zFract="0.40312558"/>
                  <atom elementType="Cu"
                        id="a177"
                        x3="7.06642"
                        xFract="0.4217228"
                        y3="3.34678"
                        yFract="0.31743481"
                        z3="8.72979"
                        zFract="0.20301837"/>
                  <atom elementType="Cu"
                        id="a178"
                        x3="14.0895"
                        xFract="0.92498594"
                        y3="4.8991"
                        yFract="0.46466899"
                        z3="19.8555"
                        zFract="0.46175581"/>
                  <atom elementType="Cu"
                        id="a179"
                        x3="8.54068"
                        xFract="0.28546696"
                        y3="8.77342"
                        yFract="0.83213983"
                        z3="23.6223"
                        zFract="0.54935581"/>
                  <atom elementType="Cu"
                        id="a180"
                        x3="9.79838"
                        xFract="0.46908573"
                        y3="7.07996"
                        yFract="0.67151883"
                        z3="27.4736"
                        zFract="0.63892093"/>
                  <atom elementType="Cu"
                        id="a181"
                        x3="2.88559"
                        xFract="0.14128242"
                        y3="2.01885"
                        yFract="0.19148354"
                        z3="20.1079"
                        zFract="0.46762558"/>
                  <atom elementType="Cu"
                        id="a182"
                        x3="4.84301"
                        xFract="0.34861602"
                        y3="1.03728"
                        yFract="0.09838376"
                        z3="11.9510"
                        zFract="0.27793023"/>
                  <atom elementType="Cu"
                        id="a183"
                        x3="9.9226"
                        xFract="0.70937298"
                        y3="2.22832"
                        yFract="0.21135131"
                        z3="10.6200"
                        zFract="0.24697674"/>
                  <atom elementType="Cu"
                        id="a184"
                        x3="9.44591"
                        xFract="0.43504124"
                        y3="7.18734"
                        yFract="0.68170359"
                        z3="9.95414"
                        zFract="0.23149163"/>
                  <atom elementType="Cu"
                        id="a185"
                        x3="15.7925"
                        xFract="0.99472056"
                        y3="6.37833"
                        yFract="0.60497075"
                        z3="17.7150"
                        zFract="0.41197674"/>
                  <atom elementType="Cu"
                        id="a186"
                        x3="6.47257"
                        xFract="0.31463637"
                        y3="4.57627"
                        yFract="0.43404927"
                        z3="18.5111"
                        zFract="0.4304907"/>
                  <atom elementType="Cu"
                        id="a187"
                        x3="9.73077"
                        xFract="0.3278467"
                        y3="9.94108"
                        yFract="0.94288985"
                        z3="14.5922"
                        zFract="0.33935349"/>
                  <atom elementType="Cu"
                        id="a188"
                        x3="6.70048"
                        xFract="0.50915946"
                        y3="0.869228"
                        yFract="0.08244439"
                        z3="14.8708"
                        zFract="0.34583256"/>
                  <atom elementType="Cu"
                        id="a189"
                        x3="4.21394"
                        xFract="0.15793248"
                        y3="3.96853"
                        yFract="0.37640645"
                        z3="15.8669"
                        zFract="0.36899767"/>
                  <atom elementType="Cu"
                        id="a190"
                        x3="10.2706"
                        xFract="0.41471275"
                        y3="9.0444"
                        yFract="0.8578417"
                        z3="25.9074"
                        zFract="0.60249767"/>
                  <atom elementType="Cu"
                        id="a191"
                        x3="8.44421"
                        xFract="0.33668"
                        y3="7.52643"
                        yFract="0.71386554"
                        z3="29.4676"
                        zFract="0.68529302"/>
                  <atom elementType="Cu"
                        id="a192"
                        x3="6.60233"
                        xFract="0.07182504"
                        y3="9.92104"
                        yFract="0.9409891"
                        z3="11.7461"
                        zFract="0.27316512"/>
                  <atom elementType="O"
                        id="a193"
                        x3="14.2661"
                        xFract="0.8209654"
                        y3="7.3984"
                        yFract="0.70172217"
                        z3="14.1243"
                        zFract="0.32847209"/>
                  <atom elementType="O"
                        id="a194"
                        x3="13.3248"
                        xFract="0.66610264"
                        y3="9.03352"
                        yFract="0.85680975"
                        z3="23.2028"
                        zFract="0.5396"/>
                  <atom elementType="O"
                        id="a195"
                        x3="13.7721"
                        xFract="0.65792327"
                        y3="9.98074"
                        yFract="0.94665151"
                        z3="28.6154"
                        zFract="0.66547442"/>
                  <atom elementType="O"
                        id="a196"
                        x3="4.0936"
                        xFract="0.06921064"
                        y3="5.63092"
                        yFract="0.53408053"
                        z3="27.5364"
                        zFract="0.6403814"/>
                  <atom elementType="O"
                        id="a197"
                        x3="16.2355"
                        xFract="0.87971182"
                        y3="9.57075"
                        yFract="0.90776485"
                        z3="14.6200"
                        zFract="0.3400"/>
                  <atom elementType="O"
                        id="a198"
                        x3="11.3550"
                        xFract="0.71980907"
                        y3="4.48925"
                        yFract="0.42579561"
                        z3="27.8259"
                        zFract="0.64711395"/>
                  <atom elementType="O"
                        id="a199"
                        x3="5.46435"
                        xFract="0.15678358"
                        y3="6.15853"
                        yFract="0.58412319"
                        z3="13.6580"
                        zFract="0.31762791"/>
                  <atom elementType="O"
                        id="a200"
                        x3="16.7295"
                        xFract="0.95791448"
                        y3="8.77737"
                        yFract="0.83251448"
                        z3="25.1241"
                        zFract="0.5842814"/>
                  <atom elementType="O"
                        id="a201"
                        x3="10.7293"
                        xFract="0.84486416"
                        y3="0.768543"
                        yFract="0.07289463"
                        z3="18.1185"
                        zFract="0.42136047"/>
                  <atom elementType="O"
                        id="a202"
                        x3="13.6111"
                        xFract="0.6716667"
                        y3="9.41208"
                        yFract="0.89271535"
                        z3="7.53591"
                        zFract="0.17525372"/>
                  <atom elementType="O"
                        id="a203"
                        x3="10.6459"
                        xFract="0.42361416"
                        y3="9.50674"
                        yFract="0.90169364"
                        z3="12.8686"
                        zFract="0.29926977"/>
                  <atom elementType="O"
                        id="a204"
                        x3="13.6524"
                        xFract="0.74752806"
                        y3="7.88397"
                        yFract="0.74777743"
                        z3="26.9004"
                        zFract="0.6255907"/>
                  <atom elementType="O"
                        id="a205"
                        x3="1.90878"
                        xFract="0.03931273"
                        y3="2.47714"
                        yFract="0.23495135"
                        z3="27.2279"
                        zFract="0.63320698"/>
                  <atom elementType="O"
                        id="a206"
                        x3="5.09548"
                        xFract="0.29515699"
                        y3="2.60183"
                        yFract="0.24677792"
                        z3="25.6635"
                        zFract="0.59682558"/>
                  <atom elementType="O"
                        id="a207"
                        x3="3.11606"
                        xFract="0.22739181"
                        y3="0.602298"
                        yFract="0.05712666"
                        z3="11.3403"
                        zFract="0.26372791"/>
                  <atom elementType="O"
                        id="a208"
                        x3="9.47818"
                        xFract="0.38859252"
                        y3="8.22267"
                        yFract="0.77990239"
                        z3="21.9197"
                        zFract="0.50976047"/>
                  <atom elementType="O"
                        id="a209"
                        x3="9.05794"
                        xFract="0.63044701"
                        y3="2.39495"
                        yFract="0.22715581"
                        z3="19.9356"
                        zFract="0.4636186"/>
                  <atom elementType="O"
                        id="a210"
                        x3="13.8961"
                        xFract="0.74039507"
                        y3="8.45648"
                        yFract="0.80207876"
                        z3="3.93459"
                        zFract="0.09150209"/>
                  <atom elementType="O"
                        id="a211"
                        x3="7.93175"
                        xFract="0.35826704"
                        y3="6.18363"
                        yFract="0.58650387"
                        z3="28.3661"
                        zFract="0.65967674"/>
                  <atom elementType="O"
                        id="a212"
                        x3="8.17931"
                        xFract="0.49065973"
                        y3="3.82073"
                        yFract="0.36238794"
                        z3="12.5925"
                        zFract="0.29284884"/>
                  <atom elementType="O"
                        id="a213"
                        x3="8.38897"
                        xFract="0.65371612"
                        y3="0.745598"
                        yFract="0.07071835"
                        z3="10.6512"
                        zFract="0.24770233"/>
                  <atom elementType="O"
                        id="a214"
                        x3="4.21753"
                        xFract="0.33389297"
                        y3="0.264373"
                        yFract="0.0250752"
                        z3="8.01798"
                        zFract="0.18646465"/>
                  <atom elementType="O"
                        id="a215"
                        x3="9.12667"
                        xFract="0.34727049"
                        y3="8.48517"
                        yFract="0.80479995"
                        z3="30.9532"
                        zFract="0.71984186"/>
                  <atom elementType="O"
                        id="a216"
                        x3="5.29136"
                        xFract="0.18201464"
                        y3="5.32687"
                        yFract="0.50524205"
                        z3="17.0401"
                        zFract="0.3962814"/>
                  <atom elementType="O"
                        id="a217"
                        x3="6.70628"
                        xFract="0.07311908"
                        y3="10.0738"
                        yFract="0.95547805"
                        z3="5.58506"
                        zFract="0.12988512"/>
                  <atom elementType="O"
                        id="a218"
                        x3="6.82798"
                        xFract="0.11248286"
                        y3="9.45455"
                        yFract="0.89674353"
                        z3="26.5592"
                        zFract="0.61765581"/>
                  <atom elementType="O"
                        id="a219"
                        x3="5.46075"
                        xFract="0.31880854"
                        y3="2.73577"
                        yFract="0.25948184"
                        z3="15.0324"
                        zFract="0.3495907"/>
                  <atom elementType="O"
                        id="a220"
                        x3="4.86475"
                        xFract="0.3485399"
                        y3="1.07654"
                        yFract="0.10210748"
                        z3="30.4686"
                        zFract="0.70857209"/>
                  <atom elementType="O"
                        id="a221"
                        x3="10.2381"
                        xFract="0.56283841"
                        y3="5.86467"
                        yFract="0.55625121"
                        z3="12.8274"
                        zFract="0.29831163"/>
                  <atom elementType="O"
                        id="a222"
                        x3="13.1440"
                        xFract="0.93249152"
                        y3="3.10318"
                        yFract="0.29432988"
                        z3="5.80358"
                        zFract="0.13496698"/>
                  <atom elementType="O"
                        id="a223"
                        x3="10.9907"
                        xFract="0.85060962"
                        y3="1.10015"
                        yFract="0.10434684"
                        z3="29.0789"
                        zFract="0.67625349"/>
                  <atom elementType="O"
                        id="a224"
                        x3="6.92454"
                        xFract="0.11628942"
                        y3="9.54153"
                        yFract="0.9049934"
                        z3="9.33181"
                        zFract="0.21701884"/>
                  <atom elementType="O"
                        id="a225"
                        x3="10.0481"
                        xFract="0.55344944"
                        y3="5.73356"
                        yFract="0.54381571"
                        z3="7.21528"
                        zFract="0.16779721"/>
                  <atom elementType="O"
                        id="a226"
                        x3="10.4831"
                        xFract="0.43668713"
                        y3="8.9491"
                        yFract="0.8488027"
                        z3="5.16475"
                        zFract="0.12011047"/>
                  <atom elementType="O"
                        id="a227"
                        x3="13.2750"
                        xFract="0.93405929"
                        y3="3.29702"
                        yFract="0.31271519"
                        z3="20.1703"
                        zFract="0.46907674"/>
                  <atom elementType="O"
                        id="a228"
                        x3="6.52877"
                        xFract="0.49789911"
                        y3="0.809258"
                        yFract="0.07675636"
                        z3="12.8330"
                        zFract="0.29844186"/>
                  <atom elementType="O"
                        id="a229"
                        x3="3.40197"
                        xFract="0.01676509"
                        y3="5.53887"
                        yFract="0.52534979"
                        z3="4.62572"
                        zFract="0.10757488"/>
                  <atom elementType="O"
                        id="a230"
                        x3="8.05791"
                        xFract="0.33135376"
                        y3="6.96965"
                        yFract="0.66105616"
                        z3="14.1698"
                        zFract="0.32953023"/>
                  <atom elementType="O"
                        id="a231"
                        x3="9.34637"
                        xFract="0.7416599"
                        y3="0.549445"
                        yFract="0.05211366"
                        z3="5.75567"
                        zFract="0.13385279"/>
                  <atom elementType="O"
                        id="a232"
                        x3="2.8225"
                        xFract="0.0371682"
                        y3="4.10497"
                        yFract="0.38934749"
                        z3="30.6207"
                        zFract="0.7121093"/>
                  <atom elementType="O"
                        id="a233"
                        x3="2.36147"
                        xFract="0.01424408"
                        y3="3.78983"
                        yFract="0.35945714"
                        z3="12.2999"
                        zFract="0.28604419"/>
                  <atom elementType="O"
                        id="a234"
                        x3="13.6260"
                        xFract="0.71330952"
                        y3="8.55979"
                        yFract="0.81187749"
                        z3="10.4739"
                        zFract="0.24357907"/>
                  <atom elementType="O"
                        id="a235"
                        x3="11.0344"
                        xFract="0.76072047"
                        y3="3.07128"
                        yFract="0.29130424"
                        z3="9.15749"
                        zFract="0.21296488"/>
                  <atom elementType="O"
                        id="a236"
                        x3="11.6834"
                        xFract="0.79638235"
                        y3="3.4434"
                        yFract="0.32659901"
                        z3="11.9377"
                        zFract="0.27762093"/>
                  <atom elementType="O"
                        id="a237"
                        x3="13.6196"
                        xFract="0.84437948"
                        y3="5.78491"
                        yFract="0.54868615"
                        z3="17.9648"
                        zFract="0.41778605"/>
                  <atom elementType="O"
                        id="a238"
                        x3="13.1927"
                        xFract="0.62926593"
                        y3="9.58147"
                        yFract="0.90878162"
                        z3="15.6722"
                        zFract="0.36446977"/>
                  <atom elementType="O"
                        id="a239"
                        x3="6.50426"
                        xFract="0.25091801"
                        y3="5.97475"
                        yFract="0.56669206"
                        z3="6.37095"
                        zFract="0.14816163"/>
                  <atom elementType="O"
                        id="a240"
                        x3="8.19048"
                        xFract="0.63746907"
                        y3="0.744395"
                        yFract="0.07060425"
                        z3="25.2417"
                        zFract="0.58701628"/>
                  <atom elementType="O"
                        id="a241"
                        x3="13.4021"
                        xFract="0.81337984"
                        y3="6.06186"
                        yFract="0.57495425"
                        z3="6.78404"
                        zFract="0.15776837"/>
                  <atom elementType="O"
                        id="a242"
                        x3="10.6787"
                        xFract="0.61982685"
                        y3="5.42613"
                        yFract="0.51465665"
                        z3="20.1243"
                        zFract="0.46800698"/>
                  <atom elementType="O"
                        id="a243"
                        x3="12.2779"
                        xFract="0.69157856"
                        y3="6.68304"
                        yFract="0.63387183"
                        z3="30.4607"
                        zFract="0.70838837"/>
                  <atom elementType="O"
                        id="a244"
                        x3="16.7402"
                        xFract="0.94292487"
                        y3="9.11198"
                        yFract="0.86425151"
                        z3="11.1545"
                        zFract="0.25940698"/>
                  <atom elementType="O"
                        id="a245"
                        x3="5.05887"
                        xFract="0.41393376"
                        y3="0.033844"
                        yFract="0.00321003"
                        z3="22.8083"
                        zFract="0.53042558"/>
                  <atom elementType="O"
                        id="a246"
                        x3="12.6358"
                        xFract="0.77692837"
                        y3="5.50322"
                        yFract="0.52196846"
                        z3="9.91082"
                        zFract="0.23048419"/>
                  <atom elementType="O"
                        id="a247"
                        x3="8.72265"
                        xFract="0.54854073"
                        y3="3.54132"
                        yFract="0.33588651"
                        z3="26.5284"
                        zFract="0.61693953"/>
                  <atom elementType="O"
                        id="a248"
                        x3="6.22595"
                        xFract="0.39339143"
                        y3="2.48845"
                        yFract="0.23602408"
                        z3="6.23683"
                        zFract="0.14504256"/>
                  <atom elementType="O"
                        id="a249"
                        x3="8.51336"
                        xFract="0.52061085"
                        y3="3.76776"
                        yFract="0.35736385"
                        z3="9.92201"
                        zFract="0.23074442"/>
                  <atom elementType="O"
                        id="a250"
                        x3="16.3843"
                        xFract="0.98507206"
                        y3="7.60681"
                        yFract="0.72148941"
                        z3="8.04109"
                        zFract="0.18700209"/>
                  <atom elementType="O"
                        id="a251"
                        x3="12.5311"
                        xFract="0.95298036"
                        y3="1.60957"
                        yFract="0.15266422"
                        z3="24.6994"
                        zFract="0.57440465"/>
                  <atom elementType="O"
                        id="a252"
                        x3="4.10841"
                        xFract="0.1080822"
                        y3="4.83691"
                        yFract="0.45877041"
                        z3="19.1468"
                        zFract="0.44527442"/>
               </atomArray>
               <bondArray/>
               <formula concise="Cu192O60">
                  <atomArray count="192 60" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">13160.796000000066</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/192Cu.60O">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:1;2;3;4;5;6;7;8;9;10;11;12;13;14;15;16;17;18;19;20;21;22;23;24;25;26;27;28;29;30;31;32;33;34;35;36;37;38;39;40;41;42;43;44;45;46;47;48;49;50;51;52;53;54;55;56;57;58;59;60;61;62;63;64;65;66;67;68;69;70;71;72;73;74;75;76;77;78;79;80;81;82;83;84;85;86;87;88;89;90;91;92;93;94;95;96;97;98;99;100;101;102;103;104;105;106;107;108;109;110;111;112;113;114;115;116;117;118;119;120;121;122;123;124;125;126;127;128;129;130;131;132;133;134;135;136;137;138;139;140;141;142;143;144;145;146;147;148;149;150;151;152;153;154;155;156;157;158;159;160;161;162;163;164;165;166;167;168;169;170;171;172;173;174;175;176;177;178;179;180;181;182;183;184;185;186;187;188;189;190;191;192;193;194;195;196;197;198;199;200;201;202;203;204;205;206;207;208;209;210;211;212;213;214;215;216;217;218;219;220;221;222;223;224;225;226;227;228;229;230;231;232;233;234;235;236;237;238;239;240;241;242;243;244;245;246;247;248;249;250;251;252/rA:252CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3O3OO1O1O4O3O3O3O4O3O3O3O4O3O4O3O3O3O3OO1O3O3OO1O3OO4OO3O1O4O3O3O3O1O3O1OO3O5O4O3O4O3O4O1O3O4O4OO3O4O3O3O3OOO3/rB:;;;;;;;;;;;;;;s4;s12;;s1s6;;;s8;;;;;;s6s14;s18;s15;;s7;;;;;;;;s29;;;s16;s5;s6s8;;s44;s22s23;;;;s20s26;s14s28;s7;;;s54;s47s54;;s18s20s37;;s39;;;s38;s5s47;s5;;;;s33s39;s18s29s37;s11s67;s33s71;s10;s34s57s58;s17s34;s34s69s77;;s57s61s78;s38;s69s80;s30;s8s17s23;s27s42s59s74;s15s79;;;s55;;s54s57s80;s80s82s91;;s3;s32;s15;s82s83;s71;s7;s52;s79s84;s24s25s64;s76s99;;s23s77s79s84;;;s36;s14;s2s53s106;s31;;s54s75;s5s12s21s66;s77s114;s17s77s79s105;s38s63s65;s61s77s116;s10s75s95;s106;s104;s18s56;s9;;s77s78s79s105;s42;s1s6;s83;s8s22;s38s63s81;s79s116;s61;s23s48s55;s61s78s118;s9;s47s58;s126;s99s103;s73;s10s39s42s71s85s98;;s2;s120s142;s125s133;s51s98s126s140;s5s66s73s114;s119;s10s99s103s119s126s138;s18s20;s13s106s111s120;s88;s25s110s142s143;s15s69s83;s25s109s142;s7s43;s35s42s85s98;s59s62s70s74;s132;s11s26s139;s39s50s71;s7s103s155;s12s118s132;s8s22;s34s57s61s78s118;s13s124;s12s17s21s22s23s77s105;s35s42s89s126s137;s101;s40s124;s44s47s103s107;s60s122s129;s100s171;;s29s40s41s122s165s169;s24s141;s69s131s153;s13s100s111s171;s30;s10s91s113;s10s39s119s123s160;s5s44s47s67s136;s172;s8s163;s2s29s120s143s165s174;s168;s34s66s76s115s164;s131s134;s22s129;s56s66;s10s39s123s180;s123s180;s29s40s41;s86s101s109;s62s83s128;s108s135;s43;s93;s51s71s140s160;s122s158s162;s36s70s157;s55s89s133;s25s102s110s152;s40s169s187;s33s39s62;s16s43s63;s130s147s155s161;s26s159s182;s82s91s97s179;s89s115s170;s141s151s175;s95s119s191;s122s129s165;s163s183;s100;s46s49s191;s162s186s189;s87s173;s75;s12s56s189;s4s68;s84s124s165s169;s88s127;s51s104s121;s29;s2s13s106s150;s106s141s173;s35s144s178;s129s182s188;s31;s41s118s174;s90;s4s16;s11s26s37;s14s25s109s142s154;s1s6s127s183;s6s8s45;s30s79s168s178;s86s131s176;s31s111s149s150;s126;s53s88s110;s27s34s97s125;s49s50s135s160;s64s93;s38s44s81;s2s6s28s124;s119s145s147;s90s100s111;s13s165s177;s53s102;s98s137;s47s58s66;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
