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<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/>
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                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                  <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/rA:262CuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuCuO4O3O3O3O3OO4O3O4OOO3O3O3OO3O3O3OO3OO3O1O3O3O3O4OO3OO4O3O4O3OO1O4O1O3O3O4OOO3OOO4O3OOO4O3O4OO1O1O3O4O4O3O4O4O1O3O4O3OO1O1O3/rB:;;;;;;;;;s4;;;;s13;;;;;;s7;;;;;;;;s24;;s17;;s30;s25;s1;;;;s15;s24;s5;s27;s18s37;;s24s29;s14;s40;s14;s15s39;s47;s12;;s13s15s19s36;s10;;s42;s12s51;;s25;s46s53;;;s36;;s8;;s58;s3;;s21;s42s46;;s18s37;s14s57;;;s49;s19s60;s28;s29s75;s2s16;s32;s61;;s5s25s41;s50s77;s30s33;s12;s1;s68;s55;;s59s83;s52;s36;s84;s92;;s60s95;s65;s97;s13s22s60s71;s51;;s29s67s75;;;s14s32;s39;s34s37;s47s50;s72;s30;;s38s65s107;s98;s19s78;s4;s52;s48;s10s23s54;;;s67;s33s87;s23s121;s22s109;;s30s33s87;s43;s8s45s65s80;s18s66s89s96;s44s64;s91s93;s65;s124;s39s46s102s109;s8s59;;s114;;s71s127s137;s19s117;s97;s90s96;s66s96s99;s83s121;s49s50s77s111;s92;s35s89s132;s4;s8s131;s72;s20s56s76;s61s126s147;s3s68;s83s93s116;s3s156;s18s96;s49s77s101s111s144;s14s32s74s82s108s153;s44s52s64;s4;;s40s47;s78;s35s150;s19s46s53s60s112;s131;s25s34s59s134;s33s87s125;s118;s10s54s83s116;;s90;s5s41s152;s14s46s62s112s161s168;s61;s27s163s172;s84;;s181;;s11;s35s150;s22s49s102;s6s135;s5s183;s27s28s172;s59;s132s150;;s56s62s117s174;s42s119s122;s2s38s187;s63s146s166;s22s35s185;s120s128;s68s69s73s159;s28s79s82;s139s167s185s191;s88s103;s29s75;s30s113s135;s50s86s136;s48s88s123;s23s147;s39s57s123;s68s84s90;s141s181s182;s86s139;s43s130s171;s87s114;s8s115s169;s178;s27s44s62;s16s58s67;s34s69s164;s60s71s78s99;s6s181;s10s116s141;s125s171;s24s40s70s165;s38s98s107;s65s115s116s157;s13s95s165;s96s145;s32;s65s100s131s135;s103;s36s183s188;s66s95s99;s32s48s82s120;s16s81;s128s151;s61s98s178;s11s20;s75s124;s59s138s152s190;s76s106s175;s28s189;s70s114;s42s56s154s172;s5s180s188;s7s21s43s191;s20s174;s107;s158;s26s31s154;s66s84s96s132;s52s119s127s142;s37s125s190;s54s110s170s173;s61s121s126s155;s138;s10s54s121;s9s72s82s153;s7s25s85;s11s184;s15;s63;s18s89s132;/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">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}</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">1:11:19</scalar>
               </property>
               <property dictRef="cc:walltime">
                  <scalar dataType="xsd:integer" id="walltime" units="si:s">4279</scalar>
               </property>
               <property dictRef="l:nsperday">
                  <scalar dataType="xsd:double">41.467</scalar>
               </property>
               <property dictRef="l:hourperns">
                  <scalar dataType="xsd:double">0.579</scalar>
               </property>
               <property dictRef="l:timestepperns">
                  <scalar dataType="xsd:double">159.981</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">0.37239 0.045115 6.5435 0.34612 4.4183</array>
                     <array dataType="xsd:double" dictRef="l:avgtime" size="6">1081.6 0.45934 447.14 0.46514 552.01 1.928</array>
                     <array dataType="xsd:double" dictRef="l:maxtime" size="5">2012.9 0.88256 1788.8 1.1792 2074.1</array>
                     <array dataType="xsd:double" dictRef="l:varavg" size="5">2179.3 46.5 2129.1 18.3 3754.0</array>
                     <array dataType="xsd:double" dictRef="l:totalpercent" size="6">51.91 0.02 21.46 0.02 26.49 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="12.1504"
                        xFract="0.99789953"
                        y3="0.002994"
                        yFract="0.00028397"
                        z3="18.4190"
                        zFract="0.42834884"/>
                  <atom elementType="Cu"
                        id="a2"
                        x3="4.1620"
                        xFract="0.15206791"
                        y3="4.00223"
                        yFract="0.37960282"
                        z3="6.42291"
                        zFract="0.14937"/>
                  <atom elementType="Cu"
                        id="a3"
                        x3="17.0420"
                        xFract="0.91537219"
                        y3="10.2157"
                        yFract="0.96893696"
                        z3="14.7334"
                        zFract="0.34263721"/>
                  <atom elementType="Cu"
                        id="a4"
                        x3="14.8895"
                        xFract="0.90088894"
                        y3="6.79286"
                        yFract="0.64428802"
                        z3="28.3019"
                        zFract="0.65818372"/>
                  <atom elementType="Cu"
                        id="a5"
                        x3="8.73366"
                        xFract="0.3044418"
                        y3="8.70756"
                        yFract="0.82589315"
                        z3="14.7078"
                        zFract="0.34204186"/>
                  <atom elementType="Cu"
                        id="a6"
                        x3="5.06845"
                        xFract="0.38923491"
                        y3="0.571247"
                        yFract="0.05418154"
                        z3="4.19705"
                        zFract="0.09760581"/>
                  <atom elementType="Cu"
                        id="a7"
                        x3="10.0728"
                        xFract="0.51475303"
                        y3="6.59231"
                        yFract="0.62526629"
                        z3="13.5703"
                        zFract="0.31558837"/>
                  <atom elementType="Cu"
                        id="a8"
                        x3="6.70265"
                        xFract="0.18003215"
                        y3="7.8131"
                        yFract="0.74105557"
                        z3="9.19426"
                        zFract="0.21382"/>
                  <atom elementType="Cu"
                        id="a9"
                        x3="7.70398"
                        xFract="0.1813958"
                        y3="9.5187"
                        yFract="0.90282802"
                        z3="30.3088"
                        zFract="0.70485581"/>
                  <atom elementType="Cu"
                        id="a10"
                        x3="13.1620"
                        xFract="0.84081005"
                        y3="5.06759"
                        yFract="0.4806499"
                        z3="5.8996"
                        zFract="0.1372"/>
                  <atom elementType="Cu"
                        id="a11"
                        x3="14.0680"
                        xFract="0.73394398"
                        y3="8.89025"
                        yFract="0.8432209"
                        z3="28.9784"
                        zFract="0.67391628"/>
                  <atom elementType="Cu"
                        id="a12"
                        x3="4.22754"
                        xFract="0.30540926"
                        y3="0.88233"
                        yFract="0.08368708"
                        z3="28.3200"
                        zFract="0.65860465"/>
                  <atom elementType="Cu"
                        id="a13"
                        x3="5.34943"
                        xFract="0.21791171"
                        y3="4.67051"
                        yFract="0.44298773"
                        z3="20.6314"
                        zFract="0.4798"/>
                  <atom elementType="Cu"
                        id="a14"
                        x3="6.15264"
                        xFract="0.28304326"
                        y3="4.68832"
                        yFract="0.44467697"
                        z3="26.8206"
                        zFract="0.62373488"/>
                  <atom elementType="Cu"
                        id="a15"
                        x3="4.63688"
                        xFract="0.16606538"
                        y3="4.52959"
                        yFract="0.42962177"
                        z3="22.5733"
                        zFract="0.52496047"/>
                  <atom elementType="Cu"
                        id="a16"
                        x3="3.57732"
                        xFract="0.24985513"
                        y3="0.927553"
                        yFract="0.08797639"
                        z3="9.69678"
                        zFract="0.22550651"/>
                  <atom elementType="Cu"
                        id="a17"
                        x3="14.2505"
                        xFract="0.94820422"
                        y3="4.68837"
                        yFract="0.44468171"
                        z3="22.3565"
                        zFract="0.5199186"/>
                  <atom elementType="Cu"
                        id="a18"
                        x3="13.5990"
                        xFract="0.92997157"
                        y3="3.9444"
                        yFract="0.37411777"
                        z3="15.1321"
                        zFract="0.3519093"/>
                  <atom elementType="Cu"
                        id="a19"
                        x3="6.50364"
                        xFract="0.12527529"
                        y3="8.62303"
                        yFract="0.81787567"
                        z3="22.5934"
                        zFract="0.52542791"/>
                  <atom elementType="Cu"
                        id="a20"
                        x3="11.8889"
                        xFract="0.50251803"
                        y3="9.99588"
                        yFract="0.94808751"
                        z3="25.9727"
                        zFract="0.60401628"/>
                  <atom elementType="Cu"
                        id="a21"
                        x3="8.84615"
                        xFract="0.49608459"
                        y3="4.86134"
                        yFract="0.46108754"
                        z3="12.4138"
                        zFract="0.28869302"/>
                  <atom elementType="Cu"
                        id="a22"
                        x3="8.13337"
                        xFract="0.61291618"
                        y3="1.16321"
                        yFract="0.11032794"
                        z3="22.0052"
                        zFract="0.51174884"/>
                  <atom elementType="Cu"
                        id="a23"
                        x3="16.9626"
                        xFract="0.99440011"
                        y3="8.41176"
                        yFract="0.79783717"
                        z3="6.10056"
                        zFract="0.14187349"/>
                  <atom elementType="Cu"
                        id="a24"
                        x3="4.75913"
                        xFract="0.13392777"
                        y3="5.4190"
                        yFract="0.51398038"
                        z3="13.2399"
                        zFract="0.30790465"/>
                  <atom elementType="Cu"
                        id="a25"
                        x3="11.4049"
                        xFract="0.51101674"
                        y3="8.97836"
                        yFract="0.85157795"
                        z3="11.5974"
                        zFract="0.26970698"/>
                  <atom elementType="Cu"
                        id="a26"
                        x3="16.3612"
                        xFract="0.91500274"
                        y3="9.04431"
                        yFract="0.85783316"
                        z3="22.7491"
                        zFract="0.52904884"/>
                  <atom elementType="Cu"
                        id="a27"
                        x3="11.8967"
                        xFract="0.80034398"
                        y3="3.72931"
                        yFract="0.35371695"
                        z3="26.4369"
                        zFract="0.61481163"/>
                  <atom elementType="Cu"
                        id="a28"
                        x3="11.1766"
                        xFract="0.58881153"
                        y3="6.94252"
                        yFract="0.65848294"
                        z3="29.6485"
                        zFract="0.6895"/>
                  <atom elementType="Cu"
                        id="a29"
                        x3="4.1077"
                        xFract="0.13579438"
                        y3="4.25133"
                        yFract="0.40322942"
                        z3="10.9272"
                        zFract="0.25412093"/>
                  <atom elementType="Cu"
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