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        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"
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        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>
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                  <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 - Update 3</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
            <parameterList/>
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                        xFract="0.49598714"
                        y3="4.90808"
                        yFract="0.46552073"
                        z3="18.121985"
                        zFract="0.42144151"/>
                  <atom elementType="O"
                        id="a261"
                        x3="11.91551"
                        xFract="0.82932046"
                        y3="3.15088"
                        yFract="0.29885412"
                        z3="24.334628"
                        zFract="0.56592158"/>
                  <atom elementType="O"
                        id="a262"
                        x3="14.959071"
                        xFract="0.8293205"
                        y3="8.422482"
                        yFract="0.79885412"
                        z3="16.879457"
                        zFract="0.39254551"/>
                  <atom elementType="O"
                        id="a263"
                        x3="8.871949"
                        xFract="0.32932046"
                        y3="8.422482"
                        yFract="0.79885412"
                        z3="16.879457"
                        zFract="0.39254551"/>
                  <atom elementType="O"
                        id="a264"
                        x3="11.91551"
                        xFract="0.66265382"
                        y3="6.665281"
                        yFract="0.63218743"
                        z3="30.54727"
                        zFract="0.71040163"/>
               </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:264CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O4O4O4O1O4OO4O0O1O4O3OO3O3OO4OO4O3O3O4O3O4O4O4O4O3O4O4O4OO3O4O4O4O1O4OO4O4O3O4O4OO4O3O1O4O4O3O4O4O4O4O4O3O4OO4O3O4O4OO4O3O4O4O4O3O4O4/rB:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;s49s50s52s77;s46s47s76s77;s4s41s71s81;s34s37s39s42;s72;s53s58s62s176;s62s72;s51s54s61s68;;s57;s45s65s67s71;s47s73s173;s48s67;s80s99s148;s105s136s170;s25s192;s31s181s182s187;s137s147;s82s117s138s142;s53s151s190;s136s137s148;s107s114s121s127;s51s86s185;s9s91s110s158;s119s122s128s135;s26s151s155s160;s32s105s150s166;s125s154s181;s29s138s172s191;s27s28s31s103;s167s173s184s186;s107s119;s129s134s174;s126s128s132s133;s112s116s124s143;s118s120s144s146;s118;s140s145s147s188;s112s178;s106s111s115s117;s44s115s149s155;s30s116s123;s2s97s149s166;s129s130s131s180;s123s133;s10s11s15s17;s80s100s102;s68;s87s90s91s92;s8s15s23s78;s78s93s135;s9s14s45s175;s10s20s132s186;s19s63s88s95;s153s156s157s158;s161s163s164s184;s122s159s161;s174s175s183s191;s165s183;s152s159s162s185;s104s169s170;s66s79s96s98;s66s103s120s141;s3s21;s83s84s97s99;s1s88s179;s44s64s85s89;s20s40s63s189;s1s7s18s96;s5s41s176;s4s26s29s171;s6s36s102s104;/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 500</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_cooling_steps equal 166667</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">fix</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">int all nvt temp ${Htemperature} ${Htemperature} 0.1 fixedpoint 0.0 0.0 0.0</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">dump</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">int  all custom 100 structure.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">int pbc yes sort id element  O Cu</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">velocity</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">all create ${Htemperature} ${seed}</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">run</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">${N_steps}</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">unfix</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">int</scalar>
                     </parameter>
                     <parameter>
                        <scalar dataType="xsd:string" dictRef="x:label">undump</scalar>
                        <scalar dataType="xsd:string" dictRef="x:value">int</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_cooling_steps}</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">1:24:33</scalar>
               </property>
               <property dictRef="cc:walltime">
                  <scalar dataType="xsd:integer" id="walltime" units="si:s">5073</scalar>
               </property>
               <property dictRef="l:nsperday">
                  <scalar dataType="xsd:double">42.890</scalar>
               </property>
               <property dictRef="l:hourperns">
                  <scalar dataType="xsd:double">0.560</scalar>
               </property>
               <property dictRef="l:timestepperns">
                  <scalar dataType="xsd:double">165.470</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">0.35834 0.028476 6.484 0.34247 3.1733</array>
                     <array dataType="xsd:double" dictRef="l:avgtime" size="6">1156.6 0.28561 330.71 0.4548 524.53 1.836</array>
                     <array dataType="xsd:double" dictRef="l:maxtime" size="5">1947.5 0.60928 1533.1 0.80801 2005.2</array>
                     <array dataType="xsd:double" dictRef="l:varavg" size="5">2200.4 36.4 2181.2 12.7 3742.6</array>
                     <array dataType="xsd:double" dictRef="l:totalpercent" size="6">57.42 0.01 16.42 0.02 26.04 0.09</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="10.393729"
                        xFract="0.7459871"
                        y3="2.272279"
                        yFract="0.21552073"
                        z3="23.713363"
                        zFract="0.55147356"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="10.393729"
                        xFract="0.57932042"
                        y3="5.786681"
                        yFract="0.54885412"
                        z3="26.19842"
                        zFract="0.60926558"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="13.43729"
                        xFract="0.82932044"
                        y3="5.786681"
                        yFract="0.54885412"
                        z3="26.19842"
                        zFract="0.60926558"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="10.393729"
                        xFract="0.49598712"
                        y3="7.543881"
                        yFract="0.71552073"
                        z3="16.258193"
                        zFract="0.37809751"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="14.959071"
                        xFract="0.7459872"
                        y3="10.179682"
                        yFract="0.96552073"
                        z3="16.258193"
                        zFract="0.37809751"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="13.43729"
                        xFract="0.74598714"
                        y3="7.543881"
                        yFract="0.71552073"
                        z3="31.168534"
                        zFract="0.72484963"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="13.43729"
                        xFract="0.99598712"
                        y3="2.272279"
                        yFract="0.21552073"
                        z3="23.713363"
                        zFract="0.55147356"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="11.91551"
                        xFract="0.74598716"
                        y3="4.90808"
                        yFract="0.46552073"
                        z3="8.803022"
                        zFract="0.20472144"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="8.871949"
                        xFract="0.49598714"
                        y3="4.90808"
                        yFract="0.46552073"
                        z3="8.803022"
                        zFract="0.20472144"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="10.393729"
                        xFract="0.66265376"
                        y3="4.02948"
                        yFract="0.38218743"
                        z3="13.773136"
                        zFract="0.32030549"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="13.43729"
                        xFract="0.91265378"
                        y3="4.02948"
                        yFract="0.38218743"
                        z3="13.773136"
                        zFract="0.32030549"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="7.350169"
                        xFract="0.57932046"
                        y3="0.515079"
                        yFract="0.04885412"
                        z3="11.288079"
                        zFract="0.26251347"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="10.393729"
                        xFract="0.8293204"
                        y3="0.515079"
                        yFract="0.04885412"
                        z3="11.288079"
                        zFract="0.26251347"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="8.871949"
                        xFract="0.57932044"
                        y3="3.15088"
                        yFract="0.29885412"
                        z3="11.288079"
                        zFract="0.26251347"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="11.91551"
                        xFract="0.82932046"
                        y3="3.15088"
                        yFract="0.29885412"
                        z3="11.288079"
                        zFract="0.26251347"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="10.393729"
                        xFract="0.8293204"
                        y3="0.515079"
                        yFract="0.04885412"
                        z3="3.832908"
                        zFract="0.0891374"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="11.91551"
                        xFract="0.9126538"
                        y3="1.393679"
                        yFract="0.13218743"
                        z3="13.773136"
                        zFract="0.32030549"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="11.91551"
                        xFract="0.74598716"
                        y3="4.90808"
                        yFract="0.46552073"
                        z3="23.713363"
                        zFract="0.55147356"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="10.393729"
                        xFract="0.8293204"
                        y3="0.515079"
                        yFract="0.04885412"
                        z3="18.74325"
                        zFract="0.43588953"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="8.871949"
                        xFract="0.49598714"
                        y3="4.90808"
                        yFract="0.46552073"
                        z3="16.258193"
                        zFract="0.37809751"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="14.959071"
                        xFract="0.99598718"
                        y3="4.90808"
                        yFract="0.46552073"
                        z3="23.713363"
                        zFract="0.55147356"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.871949"
                        xFract="0.66265378"
                        y3="1.393679"
                        yFract="0.13218743"
                        z3="13.773136"
                        zFract="0.32030549"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="13.43729"
                        xFract="0.99598712"
                        y3="2.272279"
                        yFract="0.21552073"
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