<?xml version="1.0" encoding="UTF-8"?>
<module xmlns="http://www.xml-cml.org/schema"
        xmlns:cc="http://www.xml-cml.org/dictionary/compchem/"
        xmlns:cml="http://www.xml-cml.org/schema"
        xmlns:cmlx="http://www.xml-cml.org/schema/cmlx"
        xmlns:convention="http://www.xml-cml.org/convention/"
        xmlns:nonsi="http://www.xml-cml.org/unit/nonSi/"
        xmlns:nonsi2="http://www.iochem-bd.org/unit/nonSi2/"
        xmlns:si="http://www.xml-cml.org/unit/si/"
        xmlns:v="http://www.iochem-bd.org/dictionary/vasp/"
        xmlns:xi="http://www.w3.org/2001/XInclude"
        xmlns:xsd="http://www.w3.org/2001/XMLSchema"
        convention="convention:compchem"
        id="vasp.outcar">
   <module dictRef="cc:jobList" id="jobList1">
      <module cmlx:templateRef="job" dictRef="cc:job" id="job">
         <module dictRef="cc:environment" id="environment">
            <parameterList>
               <parameter dictRef="cc:program">
                  <scalar dataType="xsd:string">vasp</scalar>
               </parameter>
               <parameter dictRef="cc:programVersion">
                  <scalar dataType="xsd:string">5.4.1</scalar>
               </parameter>
               <parameter dictRef="cc:subversion">
                  <scalar dataType="xsd:string">24Jun15 (build Jul 19 2019 12:39:51) gamma-only</scalar>
               </parameter>
               <parameter dictRef="v:platform">
                  <scalar dataType="xsd:string">IFC91_ompi</scalar>
               </parameter>
               <parameter dictRef="cc:rundate">
                  <scalar dataType="xsd:date">2022-11-25T07:22:39.000</scalar>
               </parameter>
            </parameterList>
         </module>
         <module dictRef="cc:initialization" id="initialization">
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                  <scalar id="sc2" title="b" units="nonsi:angstrom">25.6</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.6</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
               </crystal>
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                  <bond atomRefs2="a109 a136" order="S"/>
                  <bond atomRefs2="a109 a133" order="S"/>
                  <bond atomRefs2="a110 a111" order="S"/>
                  <bond atomRefs2="a110 a136" order="S"/>
                  <bond atomRefs2="a110 a112" order="S"/>
                  <bond atomRefs2="a110 a114" order="S"/>
                  <bond atomRefs2="a110 a137" order="S"/>
                  <bond atomRefs2="a110 a115" order="S"/>
                  <bond atomRefs2="a110 a116" order="S"/>
                  <bond atomRefs2="a110 a133" order="S"/>
                  <bond atomRefs2="a111 a136" order="S"/>
                  <bond atomRefs2="a111 a115" order="S"/>
                  <bond atomRefs2="a111 a114" order="S"/>
                  <bond atomRefs2="a112 a137" order="S"/>
                  <bond atomRefs2="a112 a136" order="S"/>
                  <bond atomRefs2="a112 a113" order="S"/>
                  <bond atomRefs2="a113 a116" order="S"/>
                  <bond atomRefs2="a113 a137" order="S"/>
                  <bond atomRefs2="a114 a115" order="S"/>
                  <bond atomRefs2="a114 a133" order="S"/>
                  <bond atomRefs2="a114 a138" order="S"/>
                  <bond atomRefs2="a114 a140" order="S"/>
                  <bond atomRefs2="a114 a135" order="S"/>
                  <bond atomRefs2="a115 a137" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a115 a138" order="S"/>
                  <bond atomRefs2="a116 a137" order="S"/>
                  <bond atomRefs2="a116 a138" order="S"/>
                  <bond atomRefs2="a133 a140" order="S"/>
                  <bond atomRefs2="a135 a140" order="S"/>
                  <bond atomRefs2="a139 a140" order="S"/>
               </bondArray>
               <formula concise="Ni22Pt116Zr2">
                  <atomArray count="22 116 2" elementType="Ni Pt Zr"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">24102.75080000003</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/22Ni.116Pt.2Zr">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N:117;118;119;120;121;122;123;124;125;126;127;128;129;130;131;132;133;134;135;136;137;138;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;139;140/rA:140PtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiZrZr/rB:s1;s1;s2s3;s1;s5;s5s6;s5s6;;s1s2s5s7;s10;s1s3s5s8;s3s12;s12s13;s13;s9s11;s2s4s11s16;s4s17;s11s14s17s18;s3s4s13s14s18s19;s13s14s15s20;s18;s6;s23;s23;s7;s24s26;s26s27;s6s7s23s24s26s27;s6s7s8s29;s23s24s25s29s30;s26s27s29s30s31;s8;s25s33;s30s31s33s34;s33s34;s9;s28s37;s9s11s16;s26s28s32s39;s37s38s39s40;s7s11s26s30s32s39s40;s30s32s35s42;s39s40s42s43;s8s14s30s33s35s43;s14s15s21s45;s33s35s36s45s46;s43s45s46s47;s15s33s36s46s47;s15s49;s36s49s50;s9s16s37s39s41;s16s52;s39s41s44s52s53;s52s53s54;s11s16s19s39s44s53s54;s53s54s56;s14s19s21s46s48;s21s58;s46s48s58s59;s58s59s60;s15s21s46s50s59s60;s50s62;s59s60s62s63;s53s55s57;s22s53s57s65;s22s66;s65s66s67;s22s59s61s67;s59s61s64s69;s67s69s70;s24s25s31;s27s28s32s40;s24s27s31s32s72s73;s31s32s35s43s74;s72s74s75;s73s74s75s76;s25s31s34s35s72s75s76;s34s35s36s47s78;s75s76s78s79;s38s41;s28s38s40s41s73s81;s40s41s44s54s82;s73s77s82s83;s32s40s43s44s73s75s77s83s84;s75s77s80s85;s35s43s47s48s75s79s80s86;s47s48s60s87;s79s80s87s88;s86s87s88s89;s36s47s51s79s88s89;s51s63s91;s88s89s91s92;s41s54s55s81s83;s54s55s57s65s94;s44s54s57s83s95;s90s96;s48s60s61s88s90s97;s60s61s64s70s98;s88s90s93s98s99;s97s98s99s100;s60s63s64s88s92s93s99s100;s57s65s68s95;s68s71s103;s101s103s104;s61s70s71s99s101s104s105;s76s77s80s86;s84;s77s84s86s107s108;s86s90s97s109;s108s109s110;s80s86s89s90s107s110;s89s90s93s100s112;s97s108s110s111;s110s111s114;s90s97s100s101s110s113s115;s2s9s10s11s16s17;s7s9s10s11s26s39s42;s1s2s3s4s10s11s12s14s17s19s20;s5s7s8s10s11s12s14s30s42s45;s8s12s13s14s15s33s45s46s49;s16s17s18s19s22s53s56s66;s18s19s20s21s22s58s59s69;s6s8s23s25s30s31s33s34s35;s9s26s28s37s38s39s40s41;s11s14s19s42s43s44s45s48s56s58;s46s47s49s50s51s60s62s63s88s91s92s102;s37s41s52s55s81s94;s19s22s56s57s58s61s66s69;s44s48s56s57s58s61s96s98;s57s61s66s67s68s69s71s103s104s106;s43s44s48s85s86s87s90s96s97s98;s83s84s85s86s96s97s108s109s110s114;s57s61s96s97s98s101s103s105s106;s95s96s97s103s105s114;s107s109s110s111s112;s110s112s113s115s116;s97s101s105s114s115s116;s81s82s83s84s94s108;s83s94s95s96s108s114s133s135s139;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
            <parameterList>
               <parameter dictRef="v:ispin">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:energyCutoff">
                  <scalar dataType="xsd:integer" units="nonsi:electronvolt">270</scalar>
               </parameter>
               <parameter dictRef="v:ediff">
                  <scalar dataType="xsd:double">0.2E-04</scalar>
               </parameter>
               <parameter dictRef="v:ediffg">
                  <scalar dataType="xsd:double">-.2E-01</scalar>
               </parameter>
               <parameter dictRef="v:ibrion">
                  <scalar dataType="xsd:integer">2</scalar>
               </parameter>
               <parameter dictRef="v:potim">
                  <scalar dataType="xsd:double">0.3000</scalar>
               </parameter>
               <parameter dictRef="cc:temp">
                  <scalar dataType="xsd:double" units="si:k">0.0</scalar>
               </parameter>
               <parameter dictRef="v:nelect">
                  <scalar dataType="xsd:double">1404.0000</scalar>
               </parameter>
               <parameter dictRef="v:nupdown">
                  <scalar dataType="xsd:double">-1.0000</scalar>
               </parameter>
               <parameter dictRef="v:ismear">
                  <scalar dataType="xsd:integer">1</scalar>
               </parameter>
               <parameter dictRef="v:sigma">
                  <scalar dataType="xsd:double">0.10</scalar>
               </parameter>
               <parameter dictRef="v:ldipol">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:idipol">
                  <scalar dataType="xsd:integer">0</scalar>
               </parameter>
               <parameter dictRef="v:gga">
                  <scalar dataType="xsd:string">PE</scalar>
               </parameter>
               <parameter dictRef="v:lexch">
                  <scalar dataType="xsd:string">8</scalar>
               </parameter>
               <parameter dictRef="v:voskown">
                  <scalar dataType="xsd:string">0</scalar>
               </parameter>
               <parameter dictRef="v:lhfcalc">
                  <scalar dataType="xsd:boolean">false</scalar>
               </parameter>
               <parameter dictRef="v:lhfone">
                  <scalar dataType="xsd:string">F</scalar>
               </parameter>
               <parameter dictRef="v:aexx">
                  <scalar dataType="xsd:double">0.0000</scalar>
               </parameter>
            </parameterList>
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="potcar" dictRef="cc:userDefinedModule">
                  <array dataType="xsd:string"
                         delimiter="|"
                         dictRef="v:pseudopotential"
                         size="3">PAW_PBE Pt 05Jan2001|PAW_PBE Ni 06Sep2000|PAW_PBE Zr_sv 07Sep2000</array>
                  <array dictRef="cc:atomType" size="3">Pt Ni Zr</array>
                  <array dataType="xsd:double" dictRef="cc:mass" size="3">195.080 58.690 91.224</array>
                  <array dataType="xsd:double" dictRef="cc:valence" size="3">10.000 10.000 12.000</array>
                  <array dataType="xsd:integer" dictRef="cc:atomcount" size="3">116 22 2</array>
               </module>
            </module>
         </module>
         <module dictRef="cc:calculation" id="calculation">
            <module dictRef="cc:userDefinedModule" id="otherComponents">
               <module cmlx:templateRef="eigenvalues">
                  <list id="spin">
                     <scalar dataType="xsd:integer" dictRef="cc:spin">1</scalar>
                     <array dataType="xsd:integer" dictRef="cc:serial" size="1">1</array>
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               </module>
            </module>
         </module>
         <module dictRef="cc:finalization" id="finalization">
            <propertyList>
               <property dictRef="v:magnetization">
                  <module cmlx:templateRef="magnetization">
                     <array dataType="xsd:integer" dictRef="cc:serial" size="140">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</array>
                     <array dataType="xsd:double" dictRef="v:coeffs" size="140">0.011 0.013 0.012 0.016 0.003 0.000 -0.002 0.001 -0.002 -0.000 -0.004 -0.001 0.004 -0.003 -0.000 0.001 -0.001 0.006 -0.001 -0.000 0.001 0.004 0.010 0.004 0.007 0.000 -0.002 -0.001 -0.002 -0.001 -0.001 0.000 -0.001 -0.001 -0.001 0.003 0.007 0.004 -0.001 -0.003 -0.001 -0.001 -0.002 -0.003 -0.001 -0.002 -0.001 -0.003 -0.001 0.010 0.010 -0.000 0.003 -0.001 -0.002 -0.002 -0.004 -0.002 0.001 -0.001 -0.004 0.001 0.012 -0.000 -0.000 -0.000 0.011 0.003 -0.001 0.003 0.009 0.001 0.002 0.000 0.000 -0.000 0.001 0.000 0.002 -0.000 0.003 0.001 -0.002 -0.001 -0.001 -0.001 -0.000 -0.001 -0.002 -0.002 0.001 0.014 0.002 -0.001 0.001 -0.001 -0.003 -0.002 0.002 0.000 -0.000 0.002 0.002 0.012 0.004 -0.000 0.003 0.002 -0.001 -0.004 0.004 -0.004 0.002 -0.002 0.011 -0.001 0.004 0.001 -0.002 -0.001 0.002 0.001 0.002 0.003 0.002 -0.001 0.000 0.011 -0.002 -0.001 -0.000 -0.001 -0.000 -0.000 0.001 0.007 0.009 0.005 -0.001 -0.003</array>
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                     <array dataType="xsd:double" dictRef="v:coeffd" size="140">0.202 0.238 0.196 0.194 0.174 0.149 0.169 0.208 0.341 0.212 0.408 0.157 0.185 0.437 0.207 0.296 0.213 0.228 0.499 0.179 0.214 0.199 0.099 0.033 0.110 0.236 0.055 0.096 0.110 0.286 0.158 0.212 0.194 0.096 0.211 0.119 0.253 0.113 0.389 0.184 0.297 0.347 0.162 0.221 0.369 0.357 0.254 0.242 0.160 0.155 0.150 0.181 0.246 0.212 0.170 0.432 0.380 0.401 0.164 0.277 0.361 0.160 0.149 0.126 0.156 0.206 0.141 0.183 0.149 0.152 0.186 0.015 0.147 0.076 0.175 0.022 0.114 0.075 0.098 0.092 0.084 0.090 0.142 0.055 0.260 0.210 0.258 0.283 0.056 0.286 0.098 0.147 0.112 0.049 0.133 0.345 0.411 0.327 0.139 0.132 0.137 0.135 0.197 0.151 0.220 0.119 0.146 0.034 0.141 0.302 0.163 0.123 0.173 0.146 0.240 0.199 0.855 0.806 1.027 0.945 0.780 0.791 0.764 0.733 0.807 0.868 1.072 0.732 0.975 0.826 1.007 0.821 0.747 0.957 0.514 0.697 0.792 0.792 -0.022 -0.050</array>
                     <array dataType="xsd:double" dictRef="v:coefftotal" size="140">0.218 0.256 0.213 0.213 0.176 0.149 0.161 0.202 0.333 0.203 0.393 0.151 0.186 0.425 0.205 0.290 0.205 0.233 0.487 0.175 0.210 0.198 0.113 0.038 0.119 0.231 0.051 0.093 0.108 0.278 0.154 0.209 0.187 0.093 0.206 0.120 0.262 0.117 0.381 0.177 0.291 0.338 0.155 0.210 0.360 0.348 0.248 0.231 0.156 0.167 0.164 0.176 0.244 0.208 0.166 0.420 0.367 0.389 0.161 0.271 0.350 0.158 0.164 0.125 0.155 0.201 0.155 0.192 0.143 0.154 0.201 0.017 0.149 0.077 0.174 0.020 0.113 0.074 0.098 0.090 0.087 0.090 0.135 0.053 0.253 0.204 0.253 0.278 0.051 0.280 0.098 0.165 0.113 0.043 0.130 0.331 0.400 0.318 0.138 0.129 0.132 0.134 0.194 0.168 0.219 0.115 0.148 0.034 0.137 0.292 0.169 0.113 0.173 0.137 0.253 0.192 0.859 0.802 1.019 0.938 0.780 0.788 0.764 0.737 0.807 0.860 1.069 0.747 0.967 0.818 1.001 0.815 0.744 0.951 0.509 0.707 0.807 0.798 -0.023 -0.058</array>
                     <list cmlx:templateRef="totals">
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffs">0.199</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffp">-0.425</scalar>
                        <scalar dataType="xsd:double" dictRef="v:totalcoeffd">40.693</scalar>
                        <scalar dataType="xsd:double" dictRef="v:coefftotalsum">40.466</scalar>
                     </list>
                  </module>
               </property>
               <property dictRef="cc:energies">
                  <module cmlx:templateRef="energies">
                     <array dataType="xsd:double"
                            dictRef="cc:freeEnergy"
                            size="1"
                            units="nonsi:electronvolt">-759.25024819</array>
                     <array dataType="xsd:double"
                            dictRef="v:noEntropyEnergy"
                            size="1"
                            units="nonsi:electronvolt">-759.39666470</array>
                     <array dataType="xsd:double"
                            dictRef="cc:e0"
                            size="1"
                            units="nonsi:electronvolt">-759.29905370</array>
                     <array dataType="xsd:double"
                            dictRef="v:efermi"
                            size="1"
                            units="nonsi:electronvolt">-3.7192</array>
                     <array dataType="xsd:double"
                            dictRef="cc:deltaEnergy"
                            size="1"
                            units="nonsi:electronvolt">0.1940618E-02</array>
                  </module>
               </property>
            </propertyList>
            <molecule id="final">
               <crystal>
                  <scalar id="sc1" title="a" units="nonsi:angstrom">25.6</scalar>
                  <scalar id="sc2" title="b" units="nonsi:angstrom">25.6</scalar>
                  <scalar id="sc3" title="c" units="nonsi:angstrom">25.6</scalar>
                  <scalar id="sc4" title="alpha" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
                  <scalar id="sc6" title="gamma" units="nonsi:degree">90.0</scalar>
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                        y3="10.94446"
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                        z3="12.7712"
                        zFract="0.498875"/>
                  <atom elementType="Pt"
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                        xFract="0.20816328"
                        y3="12.80817"
                        yFract="0.50031914"
                        z3="10.83118"
                        zFract="0.42309297"/>
                  <atom elementType="Pt"
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                        x3="5.3033"
                        xFract="0.20716016"
                        y3="12.78859"
                        yFract="0.4995543"
                        z3="14.69459"
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                  <atom elementType="Pt"
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                        x3="5.28608"
                        xFract="0.2064875"
                        y3="14.67726"
                        yFract="0.57333047"
                        z3="12.78279"
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                  <atom elementType="Pt"
                        id="a5"
                        x3="7.14123"
                        xFract="0.2789543"
                        y3="9.00164"
                        yFract="0.35162656"
                        z3="12.8250"
                        zFract="0.50097656"/>
                  <atom elementType="Pt"
                        id="a6"
                        x3="8.93342"
                        xFract="0.34896172"
                        y3="7.09547"
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                        z3="12.82341"
                        zFract="0.50091445"/>
                  <atom elementType="Pt"
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                        y3="8.9512"
                        yFract="0.34965625"
                        z3="10.75832"
                        zFract="0.42024687"/>
                  <atom elementType="Pt"
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                        x3="8.92384"
                        xFract="0.3485875"
                        y3="8.91469"
                        yFract="0.34823008"
                        z3="14.83348"
                        zFract="0.57943281"/>
                  <atom elementType="Pt"
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                        x3="8.91007"
                        xFract="0.34804961"
                        y3="12.73659"
                        yFract="0.49752305"
                        z3="7.17927"
                        zFract="0.28044023"/>
                  <atom elementType="Pt"
                        id="a10"
                        x3="7.08411"
                        xFract="0.27672305"
                        y3="10.85466"
                        yFract="0.42401016"
                        z3="10.76676"
                        zFract="0.42057656"/>
                  <atom elementType="Pt"
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                        x3="8.95673"
                        xFract="0.34987227"
                        y3="12.80235"
                        yFract="0.5000918"
                        z3="10.93017"
                        zFract="0.42695977"/>
                  <atom elementType="Pt"
                        id="a12"
                        x3="7.08054"
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                        y3="10.80985"
                        yFract="0.42225977"
                        z3="14.82396"
                        zFract="0.57906094"/>
                  <atom elementType="Pt"
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                        x3="7.1144"
                        xFract="0.27790625"
                        y3="12.78293"
                        yFract="0.4993332"
                        z3="16.65118"
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                        x3="8.96198"
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                        y3="12.79516"
                        yFract="0.49981094"
                        z3="14.62213"
                        zFract="0.57117695"/>
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                        x3="8.91172"
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                        y3="12.75408"
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                        z3="18.50372"
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                        z3="8.92426"
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                        x3="7.04014"
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                        y3="14.82075"
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                        z3="10.78892"
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                        x3="7.08453"
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                        y3="14.77624"
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                        z3="12.79655"
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                        id="a20"
                        x3="7.03263"
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                        y3="14.83237"
                        yFract="0.57938945"
                        z3="14.80579"
                        zFract="0.57835117"/>
                  <atom elementType="Pt"
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                        x3="8.87492"
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                        y3="14.83705"
                        yFract="0.57957227"
                        z3="16.70067"
                        zFract="0.65236992"/>
                  <atom elementType="Pt"
                        id="a22"
                        x3="8.9513"
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                        y3="18.3733"
                        yFract="0.71770703"
                        z3="12.8079"
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                        id="a23"
                        x3="10.83557"
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                        y3="5.28184"
                        yFract="0.20632187"
                        z3="12.84815"
                        zFract="0.50188086"/>
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                        id="a24"
                        x3="12.76265"
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                        y3="5.23984"
                        yFract="0.20468125"
                        z3="10.87798"
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                        id="a25"
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                        y3="5.25933"
                        yFract="0.20544258"
                        z3="14.75237"
                        zFract="0.57626445"/>
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                        x3="10.68865"
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                        y3="8.92828"
                        yFract="0.34876094"
                        z3="8.8483"
                        zFract="0.34563672"/>
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                        id="a27"
                        x3="12.74502"
                        xFract="0.49785234"
                        y3="7.08029"
                        yFract="0.27657383"
                        z3="8.93791"
                        zFract="0.34913711"/>
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                        id="a28"
                        x3="12.67602"
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                        y3="8.90464"
                        yFract="0.3478375"
                        z3="7.06868"
                        zFract="0.27612031"/>
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                        id="a29"
                        x3="10.69987"
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                        y3="6.97678"
                        yFract="0.27253047"
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                        z3="12.8146"
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                        x3="10.7756"
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                        y3="8.90049"
                        yFract="0.34767539"
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                        zFract="0.65195234"/>
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                        z3="16.66395"
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                        y3="10.7809"
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                        z3="5.24207"
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                        y3="10.8581"
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                        x3="12.83803"
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                        y3="12.77555"
                        yFract="0.49904492"
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                        x3="10.91008"
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                        zFract="0.65126758"/>
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                        id="a47"
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                        y3="10.9221"
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                        x3="12.7567"
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                        yFract="0.42539727"
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                        yFract="0.57888945"
                        z3="6.99827"
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                        x3="10.73078"
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                  <bond atomRefs2="a108 a114" order="S"/>
                  <bond atomRefs2="a108 a139" order="S"/>
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                  <bond atomRefs2="a108 a111" order="S"/>
                  <bond atomRefs2="a108 a140" order="S"/>
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                  <bond atomRefs2="a109 a110" order="S"/>
                  <bond atomRefs2="a109 a133" order="S"/>
                  <bond atomRefs2="a109 a111" order="S"/>
                  <bond atomRefs2="a109 a136" order="S"/>
                  <bond atomRefs2="a110 a112" order="S"/>
                  <bond atomRefs2="a110 a116" order="S"/>
                  <bond atomRefs2="a110 a114" order="S"/>
                  <bond atomRefs2="a110 a133" order="S"/>
                  <bond atomRefs2="a110 a115" order="S"/>
                  <bond atomRefs2="a110 a111" order="S"/>
                  <bond atomRefs2="a110 a137" order="S"/>
                  <bond atomRefs2="a110 a136" order="S"/>
                  <bond atomRefs2="a111 a115" order="S"/>
                  <bond atomRefs2="a111 a114" order="S"/>
                  <bond atomRefs2="a111 a136" order="S"/>
                  <bond atomRefs2="a112 a113" order="S"/>
                  <bond atomRefs2="a112 a136" order="S"/>
                  <bond atomRefs2="a112 a137" order="S"/>
                  <bond atomRefs2="a113 a116" order="S"/>
                  <bond atomRefs2="a113 a137" order="S"/>
                  <bond atomRefs2="a114 a133" order="S"/>
                  <bond atomRefs2="a114 a115" order="S"/>
                  <bond atomRefs2="a114 a138" order="S"/>
                  <bond atomRefs2="a114 a135" order="S"/>
                  <bond atomRefs2="a114 a140" order="S"/>
                  <bond atomRefs2="a115 a138" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a115 a137" order="S"/>
                  <bond atomRefs2="a116 a138" order="S"/>
                  <bond atomRefs2="a116 a137" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a118 a125" order="S"/>
                  <bond atomRefs2="a119 a120" order="S"/>
                  <bond atomRefs2="a129 a131" order="S"/>
                  <bond atomRefs2="a131 a134" order="S"/>
                  <bond atomRefs2="a133 a140" order="S"/>
                  <bond atomRefs2="a135 a140" order="S"/>
               </bondArray>
               <formula concise="Ni22Pt116Zr2">
                  <atomArray count="22 116 2" elementType="Ni Pt Zr"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">24102.75080000003</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/22Ni.116Pt.2Zr">
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               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
