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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: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"
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   <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">
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               <parameter dictRef="cc:subversion">
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                  <scalar id="sc5" title="beta" units="nonsi:degree">90.0</scalar>
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                  <bond atomRefs2="a112 a114" order="S"/>
                  <bond atomRefs2="a112 a136" order="S"/>
                  <bond atomRefs2="a112 a138" order="S"/>
                  <bond atomRefs2="a113 a114" order="S"/>
                  <bond atomRefs2="a113 a115" order="S"/>
                  <bond atomRefs2="a113 a138" order="S"/>
                  <bond atomRefs2="a114 a119" order="S"/>
                  <bond atomRefs2="a114 a117" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a115 a138" order="S"/>
                  <bond atomRefs2="a116 a120" order="S"/>
                  <bond atomRefs2="a116 a138" order="S"/>
                  <bond atomRefs2="a117 a119" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a118 a120" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a118 a136" order="S"/>
                  <bond atomRefs2="a119 a120" order="S"/>
                  <bond atomRefs2="a119 a138" order="S"/>
                  <bond atomRefs2="a120 a138" order="S"/>
                  <bond atomRefs2="a122 a129" order="S"/>
                  <bond atomRefs2="a123 a139" order="S"/>
                  <bond atomRefs2="a125 a126" order="S"/>
                  <bond atomRefs2="a127 a130" order="S"/>
                  <bond atomRefs2="a127 a131" order="S"/>
                  <bond atomRefs2="a136 a140" order="S"/>
               </bondArray>
               <formula concise="Ni18Pt120Zr2">
                  <atomArray count="18 120 2" elementType="Ni Pt Zr"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">24648.289200000036</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/18Ni.120Pt.2Zr">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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;117;118;119;120;139;140/rA:140PtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiZrZr/rB:s1;s2;s1;s4;s4s5;s4s5;;s6s8;s8s9;s1s4s6s8s9;s1s2s3s11;s4s7s11s12;s1s2s4s7s12s13;s2s14;s7s14s15;s15s16;s8s10;s3s8s12s18;s3s19;s12s19s20;s18s19s20;s15s17;s20s23;s20s22s24;s5;s26;s26;s6s9;s27s29;s29s30;s5s6s26s27s29s30;s5s7s13s32;s5s7s26s28s33;s7s16s34;s28s34s35;s35s36;s10;s9s10s29s31s38;s29s31s39;s38s39s40;s6s9s13s29s33s40;s13s21s42;s33s42s43;s40s42s43s44;s16s17;s43s44s46;s16s17s35s37s46;s17s48;s37s48s49;s46s48s49s50;s38s41;s10s18s38s41s52;s18s22s53;s52s53s54;s18s21s22s43s45s54;s21s22s25s56;s43s45s47s56s57;s54s56s57s58;s23s24;s46s47s51;s57s58s61;s17s23s49s60s61;s49s51s63;s60s61s63s64;s54s55s59;s22s25s54s57s59s66;s25s67;s57s59s62s67s68;s66s67s68s69;s24s25s57s60s62s68;s60s62s65s71;s68s69s71s72;s27s28;s30s31;s27s30s74s75;s44s76;s74s76s77;s75s76s78;s28s36s74s77s78;s36s37s80;s78s80s81;s41s52;s31s40s41s75s83;s75s79s84;s83s84s85;s40s44s45s75s77s79s85;s77s79s82s87;s85s87s88;s44s47s77s81s82s88;s81s82s90;s88s90s91;s37s50s51s81s91;s50s51s64s93;s91s93s94;s41s52s55s83s86;s86s89s96;s45s58s59s89s97;s58s59s62s69s98;s97s98s99;s47s58s61s62s92s99;s61s62s65s72s101;s92s95s101s102;s99s101s102s103;s59s66s69s70s99s100;s69s70s73s105;s99s100s104s105s106;s62s72s73s102s104s106s107;s78s79s82s88;s85s86s89s97;s79s85s88s89s109s110;s88s89s92s111;s109s111s112;s110s111s112s113;s82s88s91s92s109s112s113;s91s92s95s103s115;s89s97s100s110s112s114;s100s104s107s117;s112s114s117s118;s92s103s104s112s116s118s119;s1s3s8s11s12s19;s8s12s13s21s42s43s56;s12s13s14s15s16s21s43s46;s2s3s12s15s20s21s23s24;s26s27s28s32s33s34s74s77;s30s32s33s40s42s44s76s77s87s125;s33s34s35s36s44s77s80s90;s31s38s39s41s83s84;s10s40s41s42s45s53s56s122;s13s16s33s35s43s44s46s47s127;s35s37s46s47s51s90s127;s41s45s53s55s56s59s96s98;s40s41s45s84s86s87s89s96s98;s47s51s61s90s92s93s95s101;s55s59s66s96s97s98s100s105;s89s98s99s101s112s118;s51s61s64s94s95s102s103;s112s113s115s116s119s120;s21s23s24s43s46s57s58s60s61s62s123;s44s45s47s58s87s88s89s90s92s98s101s136;/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">120 18 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>
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                  <bond atomRefs2="a100 a117" order="S"/>
                  <bond atomRefs2="a100 a105" order="S"/>
                  <bond atomRefs2="a100 a135" order="S"/>
                  <bond atomRefs2="a101 a102" order="S"/>
                  <bond atomRefs2="a101 a104" order="S"/>
                  <bond atomRefs2="a101 a103" order="S"/>
                  <bond atomRefs2="a101 a136" order="S"/>
                  <bond atomRefs2="a101 a140" order="S"/>
                  <bond atomRefs2="a101 a134" order="S"/>
                  <bond atomRefs2="a102 a108" order="S"/>
                  <bond atomRefs2="a102 a104" order="S"/>
                  <bond atomRefs2="a102 a103" order="S"/>
                  <bond atomRefs2="a102 a137" order="S"/>
                  <bond atomRefs2="a103 a116" order="S"/>
                  <bond atomRefs2="a103 a120" order="S"/>
                  <bond atomRefs2="a103 a104" order="S"/>
                  <bond atomRefs2="a103 a137" order="S"/>
                  <bond atomRefs2="a104 a107" order="S"/>
                  <bond atomRefs2="a104 a118" order="S"/>
                  <bond atomRefs2="a104 a120" order="S"/>
                  <bond atomRefs2="a104 a108" order="S"/>
                  <bond atomRefs2="a105 a107" order="S"/>
                  <bond atomRefs2="a105 a106" order="S"/>
                  <bond atomRefs2="a105 a135" order="S"/>
                  <bond atomRefs2="a106 a107" order="S"/>
                  <bond atomRefs2="a106 a108" order="S"/>
                  <bond atomRefs2="a107 a108" order="S"/>
                  <bond atomRefs2="a107 a118" order="S"/>
                  <bond atomRefs2="a109 a111" order="S"/>
                  <bond atomRefs2="a109 a115" order="S"/>
                  <bond atomRefs2="a109 a113" order="S"/>
                  <bond atomRefs2="a110 a117" order="S"/>
                  <bond atomRefs2="a110 a111" order="S"/>
                  <bond atomRefs2="a110 a114" order="S"/>
                  <bond atomRefs2="a111 a112" order="S"/>
                  <bond atomRefs2="a111 a113" order="S"/>
                  <bond atomRefs2="a111 a114" order="S"/>
                  <bond atomRefs2="a112 a115" order="S"/>
                  <bond atomRefs2="a112 a120" order="S"/>
                  <bond atomRefs2="a112 a117" order="S"/>
                  <bond atomRefs2="a112 a113" order="S"/>
                  <bond atomRefs2="a112 a114" order="S"/>
                  <bond atomRefs2="a112 a119" order="S"/>
                  <bond atomRefs2="a112 a136" order="S"/>
                  <bond atomRefs2="a112 a138" order="S"/>
                  <bond atomRefs2="a113 a114" order="S"/>
                  <bond atomRefs2="a113 a115" order="S"/>
                  <bond atomRefs2="a113 a138" order="S"/>
                  <bond atomRefs2="a114 a119" order="S"/>
                  <bond atomRefs2="a114 a117" order="S"/>
                  <bond atomRefs2="a115 a116" order="S"/>
                  <bond atomRefs2="a115 a138" order="S"/>
                  <bond atomRefs2="a116 a120" order="S"/>
                  <bond atomRefs2="a116 a138" order="S"/>
                  <bond atomRefs2="a117 a136" order="S"/>
                  <bond atomRefs2="a117 a118" order="S"/>
                  <bond atomRefs2="a117 a119" order="S"/>
                  <bond atomRefs2="a118 a120" order="S"/>
                  <bond atomRefs2="a118 a119" order="S"/>
                  <bond atomRefs2="a118 a136" order="S"/>
                  <bond atomRefs2="a119 a120" order="S"/>
                  <bond atomRefs2="a119 a138" order="S"/>
                  <bond atomRefs2="a120 a138" order="S"/>
                  <bond atomRefs2="a123 a139" order="S"/>
                  <bond atomRefs2="a125 a126" order="S"/>
                  <bond atomRefs2="a127 a130" order="S"/>
                  <bond atomRefs2="a136 a140" order="S"/>
               </bondArray>
               <formula concise="Ni18Pt120Zr2">
                  <atomArray count="18 120 2" elementType="Ni Pt Zr"/>
               </formula>
               <property dictRef="cml:molmass">
                  <scalar units="unit:dalton">24648.289200000036</scalar>
               </property>
               <formula convention="iupac:inchi" inline="InChI=1S/18Ni.120Pt.2Zr">
                  <scalar dataType="xsd:integer" id="auxInfo">AuxInfo=1/0/N: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;117;118;119;120;139;140/rA:140PtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtPtNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiNiZrZr/rB:s1;s2;s1;s4;s4s5;s4s5;;s6s8;s8s9;s1s4s6s8s9;s1s2s3s11;s4s7s11s12;s1s2s4s7s12s13;s2s14;s7s14s15;s15s16;s8s10;s3s8s12s18;s3s19;s12s19s20;s18s19s20;s15s17;s20s23;s20s22s24;s5;s26;s26;s6s9;s27s29;s29s30;s5s6s26s27s29s30;s5s7s13s32;s5s7s26s28s33;s7s16s34;s28s34s35;s35s36;s10;s9s10s29s31s38;s29s31s39;s38s39s40;s6s9s13s29s33s40;s13s21s42;s33s42s43;s40s42s43s44;s16s17;s43s44s46;s16s17s35s37s46;s17s48;s37s48s49;s46s48s49s50;s38s41;s10s18s38s41s52;s18s22s53;s52s53s54;s18s21s22s43s45s54;s21s22s25s56;s43s45s47s56s57;s54s56s57s58;s23s24;s46s47s51;s57s58s61;s17s23s49s60s61;s49s51s63;s60s61s63s64;s54s55s59;s22s25s54s57s59s66;s25s67;s57s59s62s67s68;s66s67s68s69;s24s25s57s60s62s68;s60s62s65s71;s68s69s71s72;s27s28;s30s31;s27s30s74s75;s44s76;s74s76s77;s75s76s78;s28s36s74s77s78;s36s37s80;s78s80s81;s41s52;s31s40s41s75s83;s75s79s84;s83s84s85;s40s44s45s75s77s79s85;s77s79s82s87;s85s87s88;s44s47s77s81s82s88;s81s82s90;s88s90s91;s37s50s51s81s91;s50s51s64s93;s91s93s94;s41s52s55s83s86;s86s89s96;s45s58s59s89s97;s58s59s62s69s98;s97s98s99;s47s58s61s62s92s99;s61s62s65s72s101;s92s95s101s102;s99s101s102s103;s59s66s69s70s99s100;s69s70s73s105;s99s100s104s105s106;s62s72s73s102s104s106s107;s78s79s82s88;s85s86s89s97;s79s85s88s89s109s110;s88s89s92s111;s109s111s112;s110s111s112s113;s82s88s91s92s109s112s113;s91s92s95s103s115;s89s97s100s110s112s114;s100s104s107s117;s112s114s117s118;s92s103s104s112s116s118s119;s1s3s8s11s12s19;s8s12s13s21s42s43s56;s12s13s14s15s16s21s43s46;s2s3s15s20s21s23s24;s26s27s28s33s74s77;s30s32s33s40s42s44s77s87s125;s33s34s35s36s44s77s90;s31s38s39s41s83s84;s10s40s41s42s45s53s56;s13s16s33s35s43s44s46s47s127;s35s37s46s47s51s90;s41s45s53s55s56s59s96s98;s40s41s45s84s86s87s89s96s98;s47s51s61s90s92s93s95s101;s55s59s66s96s97s98s100s105;s89s92s99s101s112s117s118;s51s61s64s65s94s95s102s103;s112s113s115s116s119s120;s21s23s24s43s46s57s58s60s61s62s123;s44s45s47s58s87s88s89s90s92s98s101s136;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;</scalar>
               </formula>
            </molecule>
         </module>
      </module>
   </module>
</module>
