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<module xmlns="http://www.xml-cml.org/schema"
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        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>
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               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string" id="copy.1">29 Sep 2021</scalar>
               </parameter>
            </parameterList>
         </module>
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            <parameterList/>
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                        z3="25.2673"
                        zFract="0.50134688"/>
               </atomArray>
               <bondArray/>
               <formula concise="Cu192O72">
                  <atomArray count="192 72" elementType="Cu O"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">13352.788800000073</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/192Cu.72O">
                  <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;253;254;255;256;257;258;259;260;261;262;263;264/rA:264CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO3O4O4O4O5O4OO3O3O4OOO4O4O4OO3OO3O4OO4O3O4O4O4O4O3O3O4O4O3OO4O3O4O3O4O4OO4O4O3O4O4O1O4O4O4O4O4O4O3O4O4OO4O3O3O4OOOOO4O4O3O4O1O3O3O4/rB:;;;;s1;;;;;;;;;;;;;;;;;;;;;s21;s3;;;;s7s27;s6;s32;;s2s7s18;s28;s34;s28s37;;;s2s18s36;;;;;;;;;;;;;;;;s1;;;;;;;;s7s34s36s38s42;;;s7s31s36;s21s35;;s2;;;s3;;;;s33;s38;;;s3;s2s38s66s80;;;s16;;;;;s87;;;;s1s2s6s33s72s79;s7s32s42s66;s21s32;s32s38s70s98;s70s98s99;s2s18s36s72;s3s35s37;s34s38s99s100;s75;s1s33s79s96;s83;;;;;s83;;s109;;;;;s2s79s84;;s28;;;;;s39s69;;;;;;;;;;;s1s2s105;s34s98s100;;;s7s18s36s42s69s97;s34s38s80s84s103s136;;;s35s75s102s104;s7s36s38s66s84;s75s102s104s144;s21s35s37s70s99s102;s28s37s39s102s146;s7s32s37s38s99s145s147;s7s24s28s37s39s69s120;;s60;;;;;s153;;s113s153;;;s113s153s159;;;;s34;;s2s36s84s101s118s145;s7s37s39s69s125s145s149s150;s36s69s125s145s168s169;;;;;;;;s79s84s105s118s136s141;s120s150;;s34s66s97s136s166;s136s141s181;;;s113s153s159s162;;s3s7s21s24s32s37s147s149s150;s18s31s36s69s101s170;;;;;s50s52s77;s46s47s76s77;s4s41s71s81;s40s59s74s177;s1s42s59s136s181;s53s58s62s176;s31s89;s73s95s124;s3s21s83;s51s54s61s68;s16s87;s92s165;s55s56s57s60;s8s52s54s163;s45s65s67s71;s73s126;s12s48s130;s19s192;s166s181s182;s82s117s138s142;s111s120;s107s114s121s127;s51s86s185;s9s91s110s158;s108s109s110s113;s119s122s128s135;s26s151s155s160;s27s154s166;s29s138s191;s25s30s154s189;s167s173s184s186;s107s119s164;s65s134;s126s128s132s133;s142s171s180;s112s116s124s143;s83s112s190;s106s111s115s117;s44s97s115s155;s74s123;s24s27s83s187;s129s130s131s180;s11s76s123;s10s11s15s17;s16s43s86s93;s68;s87s90s91s92;s8s15s23s78;s49s78s93s135;s12s13s14s22;s9s14s45s175;s10s20s132s186;s55s90s134;s5s22s82s94;s19s63s88s95;s48s108;s153s156s157s158;s161s163s184;s122s159s161;s174s175s183s191;s13s165;s43s127;s17s192;s60s152;s24s88s140s179;s44s64s85s89;s58s72s85;s20s40s63s189;s80;s41s172s176;s4s26s29;s64s81s94s139;/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">50.398838</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 50.398838</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 900</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">variable</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">Ltemperature equal 900</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">seed equal 122</scalar>
                     </parameter>
                     <parameter/>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">variable</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">u uloop 100</scalar>
                     </parameter>
                     <parameter/>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">atom_modify</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">map yes</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 10000 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">0.00001</scalar>
                     </parameter>
                     <parameter/>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">region</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">solid block INF INF INF INF 0.0 23</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">group</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">fixsolid region solid</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">group</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">nebatoms subtract all fixsolid</scalar>
                     </parameter>
                     <parameter/>
                     <parameter/>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">minimize</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">1.0e-8 1.0e-4 1000 10000</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">reset_timestep</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">0</scalar>
                     </parameter>
                     <parameter/>
                     <parameter/>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">thermo</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">10</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 %10.5f %8.1f %15.3f %15.3f %9.3f %9.3f %9.1f"</scalar>
                     </parameter>
                     <parameter/>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">min_style</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">quickmin</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">fix</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">freeze fixsolid setforce 0 0 0</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">velocity</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">fixsolid set 0 0 0</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">fix</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">ts nebatoms neb 1.0 parallel ideal</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">dump</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">int  all custom 10 structure.lammpstrj.$u 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">int pbc yes sort id element  O Cu</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">neb</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">0.0 0.03 1000 20000 1 final coords.final terse</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">0:11:30</scalar>
               </property>
               <property dictRef="cc:walltime">
                  <scalar dataType="xsd:integer" id="walltime" units="si:s">690</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">0.011883 0 0.026304 0 0</array>
                     <array dataType="xsd:double" dictRef="l:avgtime" size="6">3.7293 0 1.2874 0 0 0.01406</array>
                     <array dataType="xsd:double" dictRef="l:maxtime" size="5">5.0029 0 4.9781 0 0</array>
                     <array dataType="xsd:double" dictRef="l:varavg" size="5">111.2 0.0 187.8 0.0 0.0</array>
                     <array dataType="xsd:double" dictRef="l:totalpercent" size="6">74.13 0.00 25.59 0.00 0.00 0.28</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">50.398838</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="13.6091"
                        xFract="0.70739663"
                        y3="8.6552"
                        yFract="0.82092692"
                        z3="31.9397"
                        zFract="0.63373882"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="12.7088"
                        xFract="0.73504973"
                        y3="6.51273"
                        yFract="0.6177183"
                        z3="34.2232"
                        zFract="0.6790474"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="4.16685"
                        xFract="0.23364939"
                        y3="2.29037"
                        yFract="0.21723662"
                        z3="33.9337"
                        zFract="0.67330322"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.1018"
                        xFract="0.42342309"
                        y3="8.56836"
                        yFract="0.81269034"
                        z3="24.6230"
                        zFract="0.48856285"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.55776"
                        xFract="0.6713956"
                        y3="0.665154"
                        yFract="0.06308841"
                        z3="24.6415"
                        zFract="0.48892992"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="16.0601"
                        xFract="0.90580058"
                        y3="8.71683"
                        yFract="0.82677239"
                        z3="31.9078"
                        zFract="0.63310587"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="8.8760"
                        xFract="0.53250481"
                        y3="4.14507"
                        yFract="0.39315089"
                        z3="33.9374"
                        zFract="0.67337664"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.5996"
                        xFract="0.66802642"
                        y3="6.00482"
                        yFract="0.56954413"
                        z3="17.1788"
                        zFract="0.34085706"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.54322"
                        xFract="0.41882771"
                        y3="5.96572"
                        yFract="0.56583558"
                        z3="17.1266"
                        zFract="0.33982133"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="10.0840"
                        xFract="0.58813721"
                        y3="5.0643"
                        yFract="0.48033786"
                        z3="22.1477"
                        zFract="0.43944862"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.1222"
                        xFract="0.83747873"
                        y3="5.0689"
                        yFract="0.48077416"
                        z3="22.1655"
                        zFract="0.43980181"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.05757"
                        xFract="0.50565513"
                        y3="1.56162"
                        yFract="0.14811627"
                        z3="19.6671"
                        zFract="0.39022924"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="10.0846"
                        xFract="0.75501148"
                        y3="1.54656"
                        yFract="0.14668786"
                        z3="19.6876"
                        zFract="0.39063599"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.56436"
                        xFract="0.50457894"
                        y3="4.19415"
                        yFract="0.39780602"
                        z3="19.6402"
                        zFract="0.38969549"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="11.5969"
                        xFract="0.75295949"
                        y3="4.20921"
                        yFract="0.39923443"
                        z3="19.6599"
                        zFract="0.39008637"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="9.9013"
                        xFract="0.72299726"
                        y3="1.90414"
                        yFract="0.18060354"
                        z3="12.1392"
                        zFract="0.2408627"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.6060"
                        xFract="0.83827328"
                        y3="2.42601"
                        yFract="0.23010178"
                        z3="22.1497"
                        zFract="0.43948831"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="12.8806"
                        xFract="0.88600508"
                        y3="3.62719"
                        yFract="0.34403109"
                        z3="32.0189"
                        zFract="0.63531028"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="10.0748"
                        xFract="0.75387643"
                        y3="1.55352"
                        yFract="0.147348"
                        z3="27.0324"
                        zFract="0.53636951"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.57388"
                        xFract="0.42080077"
                        y3="5.97722"
                        yFract="0.56692633"
                        z3="24.6297"
                        zFract="0.48869579"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="4.29486"
                        xFract="0.08056547"
                        y3="5.74008"
                        yFract="0.54443412"
                        z3="33.9526"
                        zFract="0.67367823"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.56361"
                        xFract="0.58795117"
                        y3="2.43483"
                        yFract="0.23093834"
                        z3="22.1511"
                        zFract="0.43951609"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="13.1339"
                        xFract="0.9203679"
                        y3="3.34133"
                        yFract="0.31691789"
                        z3="17.2151"
                        zFract="0.34157732"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="7.43546"
                        xFract="0.45954983"
                        y3="3.18834"
                        yFract="0.30240712"
                        z3="31.7552"
                        zFract="0.63007802"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="5.52665"
                        xFract="0.00620967"
                        y3="9.4415"
                        yFract="0.89550577"
                        z3="27.1484"
                        zFract="0.53867115"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="8.59926"
                        xFract="0.25699666"
                        y3="9.47522"
                        yFract="0.89870404"
                        z3="27.0875"
                        zFract="0.53746279"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="5.79703"
                        xFract="0.19371015"
                        y3="5.9561"
                        yFract="0.56492315"
                        z3="31.8292"
                        zFract="0.63154631"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="5.56429"
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                        y3="0.599102"
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</module>
